(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C23H19N3O3S/c1-15-5-8-18(9-6-15)30-22-19(4-3-11-24-22)23(28)29-14-17-12-21(27)26-13-16(2)7-10-20(26)25-17/h3-13H,14H2,1-2H3