(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic 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 (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-thenoyl)pyrrolidine-2-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CCCN3C(=O)C4=CC=CS4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)C=C1

InChI

InChI=1S/C20H19N3O4S/c1-13-6-7-17-21-14(10-18(24)23(17)11-13)12-27-20(26)15-4-2-8-22(15)19(25)16-5-3-9-28-16/h3,5-7,9-11,15H,2,4,8,12H2,1H3/t15-/m0/s1