(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic 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 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-13-3-2-9-22-17(23)11-15(21-19(13)22)12-25-18(24)8-10-26-16-6-4-14(20)5-7-16/h2-7,9,11H,8,10,12H2,1H3