3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide (Q27163924)

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

9 October 2016

chemical formula

C₁₉H₁₅N₃O₃S₂

1 reference

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

9 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N

1 reference

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)

9 October 2016

Identifiers

InChI

1 reference

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

9 October 2016

2 references

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

149092-50-2

1 reference

stated in

25 January 2022

1 reference

3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoacrylamide (English)

9 October 2016

2 references

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide (English)

9 October 2016

ChEBI ID

92141

mapping relation type

2 references

3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)

1 reference

1 reference

Human Metabolome Database ID

HMDB0248051

2 references

based on heuristic

inferred from InChIKey