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

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzoate Openeye Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]benzoate IUPAC Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]benzoate Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-11-6-7-15-18-12(8-16(20)19(15)9-11)10-23-14-5-3-2-4-13(14)17(21)22/h2-9H,10H2,1H3,(H,21,22)