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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H22N4O3S/c1-28-17-6-3-16(4-7-17)5-8-19(26)27-15-18(25)23-11-13-24(14-12-23)20-21-9-2-10-22-20/h2-10H,11-15H2,1H3/b8-5+