ethyl (E)-2-cyano-3-[(4-methylphenyl)amino]-3-sulfanyl-prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)C)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC=C(C=C1)C)/S)/C#N

InChI

InChI=1S/C13H14N2O2S/c1-3-17-13(16)11(8-14)12(18)15-10-6-4-9(2)5-7-10/h4-7,15,18H,3H2,1-2H3/b12-11+