methyl (E)-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-(2-methylsulfanylanilino)-4-oxo-but-2-enoate CAS Name: (E)-4-[2-(methylthio)anilino]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-methylsulfanylanilino)-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[2-(methylthio)anilino]but-2-enoic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

COC(=O)/C=C/C(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H13NO3S/c1-16-12(15)8-7-11(14)13-9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,13,14)/b8-7+