(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylsulfanylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylsulfanylbenzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H14ClN2O3S+ MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-24-14-5-3-2-4-13(14)17(22)23-10-12-8-16(21)20-9-11(18)6-7-15(20)19-12/h2-9H,10H2,1H3/p+1