5-[2-(cyanomethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(cyanomethylsulfanyl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(cyanomethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(cyanomethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(cyanomethylthio)acetyl]amino]-2-thenoic acid Formula: C9H8N2O3S2 MolecularWeight: 256.30142

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)NC(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)NC(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C9H8N2O3S2/c10-3-4-15-5-7(12)11-8-2-1-6(16-8)9(13)14/h1-2H,4-5H2,(H,11,12)(H,13,14)