(4-ethanoylphenyl) 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: (4-ethanoylphenyl) 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: (4-acetylphenyl) 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid (4-acetylphenyl) ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H22N2O4S/c1-15-20(12-13-21(27)29-19-10-8-18(9-11-19)16(2)26)22(28)25-23(24-15)30-14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,24,25,28)