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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic 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 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCSC3=CC(=C(C=C3)C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCSC3=CC(=C(C=C3)C)C)C=C1

InChI

InChI=1S/C21H22N2O3S/c1-14-4-7-19-22-17(11-20(24)23(19)12-14)13-26-21(25)8-9-27-18-6-5-15(2)16(3)10-18/h4-7,10-12H,8-9,13H2,1-3H3