methyl (E)-2-cyano-3-[(4-methylphenyl)amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[(4-methylphenyl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(4-methylanilino)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylanilino)-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(4-methylanilino)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(p-toluidino)acrylic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=C(/C#N)\C(=O)OC)/SC

InChI

InChI=1S/C13H14N2O2S/c1-9-4-6-10(7-5-9)15-12(18-3)11(8-14)13(16)17-2/h4-7,15H,1-3H3/b12-11+