[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-28-20-10-7-18(8-11-20)9-12-22(26)27-17-21(25)24-15-13-23(14-16-24)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3/b12-9+