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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic 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 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (4-keto-7-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=CN2C(=NC(=CC2=O)COC(=O)CCCSC3=CC=C(C=C3)Cl)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCSC3=CC=C(C=C3)Cl)C=C1

InChI

InChI=1S/C20H19ClN2O3S/c1-14-4-9-18-22-16(11-19(24)23(18)12-14)13-26-20(25)3-2-10-27-17-7-5-15(21)6-8-17/h4-9,11-12H,2-3,10,13H2,1H3