(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

InChI

InChI=1S/C20H20N2O3S/c1-14-5-7-17(8-6-14)26-11-9-19(24)25-13-16-12-18(23)22-10-3-4-15(2)20(22)21-16/h3-8,10,12H,9,11,13H2,1-2H3