methyl (E)-2-cyano-3-methylsulfanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(4-phenyl-1-piperazinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(4-phenylpiperazino)acrylic acid methyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(N1CCN(CC1)C2=CC=CC=C2)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\N1CCN(CC1)C2=CC=CC=C2)/SC)/C#N

InChI

InChI=1S/C16H19N3O2S/c1-21-16(20)14(12-17)15(22-2)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3/b15-14+