ethyl (E)-3-[(4-chlorophenyl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chlorophenyl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-(4-chloroanilino)-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-(4-chloroanilino)-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-chloroanilino)-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-(4-chloroanilino)-2-cyano-3-(methylthio)acrylic acid ethyl ester Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)Cl)SC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O2S/c1-3-18-13(17)11(8-15)12(19-2)16-10-6-4-9(14)5-7-10/h4-7,16H,3H2,1-2H3/b12-11+