5-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(cyanomethylsulfanyl)benzoyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(cyanomethylsulfanyl)benzoyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(cyanomethylthio)benzoyl]amino]-2-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=CC=C(S2)C(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(S2)C(=O)O)SCC#N

InChI

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