2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]thiophene-3-carboxylic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]thiophene-3-carboxylic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-thenoic acid Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(C=CS2)C(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C=CS2)C(=O)O)SCC#N

InChI

InChI=1S/C14H10N2O3S2/c15-6-8-20-11-4-2-1-3-9(11)12(17)16-13-10(14(18)19)5-7-21-13/h1-5,7H,8H2,(H,16,17)(H,18,19)