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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic 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-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

InChI=1S/C20H20N2O5S/c1-14-3-6-17(7-4-14)28(25,26)10-9-20(24)27-13-16-11-19(23)22-12-15(2)5-8-18(22)21-16/h3-8,11-12H,9-10,13H2,1-2H3