6-[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[[2-(cyanomethylthio)-1-oxoethyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-[[2-(cyanomethylthio)acetyl]amino]phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C(=O)N2)C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C(=O)N2)C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C16H13N3O4S/c17-7-8-24-9-14(20)18-11-3-1-10(2-4-11)13-6-5-12(16(22)23)15(21)19-13/h1-6H,8-9H2,(H,18,20)(H,19,21)(H,22,23)