methyl (E)-2-cyano-3-methylsulfanyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-methylsulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-anilino-2-cyano-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-anilino-2-cyano-3-(methylthio)acrylic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=CC=CC=C1)SC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S/c1-16-12(15)10(8-13)11(17-2)14-9-6-4-3-5-7-9/h3-7,14H,1-2H3/b11-10+