(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]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-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

InChI=1S/C20H20N2O3S/c1-14-3-6-16(7-4-14)12-26-13-20(24)25-11-17-9-19(23)22-10-15(2)5-8-18(22)21-17/h3-10H,11-13H2,1-2H3