(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic 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-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CSC3=NC4=CC=CC=C4C(=C3)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CSC3=NC4=CC=CC=C4C(=C3)C)C=C1

InChI

InChI=1S/C22H19N3O3S/c1-14-7-8-19-23-16(10-21(26)25(19)11-14)12-28-22(27)13-29-20-9-15(2)17-5-3-4-6-18(17)24-20/h3-11H,12-13H2,1-2H3