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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-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-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c24-17(15-26-18(25)7-14-27-16-5-2-1-3-6-16)22-10-12-23(13-11-22)19-20-8-4-9-21-19/h1-9,14H,10-13,15H2/b14-7+