(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic 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 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C)C5=CC=CS5

InChI

InChI=1S/C27H25N3O4S/c1-17-7-9-20(10-8-17)30-23(31)12-11-21(25(30)22-6-4-14-35-22)27(33)34-16-19-15-24(32)29-13-3-5-18(2)26(29)28-19/h3-10,13-15,21,25H,11-12,16H2,1-2H3