N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (Q27196877)

SMR000062416 (English)

11 October 2016

chemical formula

C₁₆H₁₄N₂O₄S₃

1 reference

SMR000062416 (English)

11 October 2016

canonical SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3

1 reference

SMR000062416 (English)

InChI=1S/C16H14N2O4S3/c1-25(21,22)10-4-5-11-14(9-10)24-16(17-11)18-15(20)7-6-12(19)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,20)

11 October 2016

Identifiers

InChI

1 reference

SMR000062416 (English)

SSAYLFVGTIMJLI-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

SMR000062416 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-4-oxo-4-(2-thienyl)butanamide (English)

11 October 2016

2 references

SMR000062416 (English)

matched by identifier from

11 October 2016

InChIKey

SSAYLFVGTIMJLI-UHFFFAOYSA-N

ChEBI ID

115033

mapping relation type

2 references

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H14N2O4S3/c1-25(21,22)10-4-5-11-14(9-10)24-16(17-11)18-15(20)7-6-12(19)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,20)

1 reference