(E)-4-[[2-(2-cyanoethylsulfanyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(2-cyanoethylsulfanyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(2-cyanoethylsulfanyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(2-cyanoethylthio)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(2-cyanoethylsulfanyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(2-cyanoethylthio)anilino]-4-keto-but-2-enoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C=C/C(=O)O)SCCC#N

InChI

InChI=1S/C13H12N2O3S/c14-8-3-9-19-11-5-2-1-4-10(11)15-12(16)6-7-13(17)18/h1-2,4-7H,3,9H2,(H,15,16)(H,17,18)/b7-6+