(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-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-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-14-4-2-8-24-18(25)12-16(22-19(14)24)13-28-21(27)15-6-9-23(10-7-15)20(26)17-5-3-11-29-17/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3