methyl 2-(1H-indole-3-carbonyl)thiazole-4-carboxylate (Q27164789)

448906-42-1 (English)

9 October 2016

chemical formula

C₁₄H₁₀N₂O₃S

1 reference

448906-42-1 (English)

9 October 2016

canonical SMILES

COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32

1 reference

448906-42-1 (English)

InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3

9 October 2016

Identifiers

InChI

1 reference

448906-42-1 (English)

9 October 2016

2 references

448906-42-1 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

448906-42-1

1 reference

https://commonchemistry.cas.org/detail?cas_rn=448906-42-1

9 April 2021

1 reference

Methyl 2-(1H-indol-3-ylcarbonyl)-1,3-thiazole-4-carboxylate (English)

9 October 2016

2 references

448906-42-1 (English)

9 October 2016

ChEBI ID

93059

mapping relation type

2 references

2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3

1 reference

CHEMBL1324296 (English)

9 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID80356239

0 references

Human Metabolome Database ID

HMDB0246680

2 references

based on heuristic

inferred from InChIKey