(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-14-4-2-5-18-22-16(12-19(24)23(14)18)13-26-20(25)6-3-11-27-17-9-7-15(21)8-10-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3