(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfinylmethyl)benzoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-25(23)12-13-5-4-6-14(9-13)18(22)24-11-15-10-17(21)20-8-3-2-7-16(20)19-15/h2-10H,11-12H2,1H3