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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic 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 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (4-keto-9-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=CN2C1=NC(=CC2=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

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