2-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]benzoic acid IUPAC Name: 2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=CC=CC=C3C(=O)O

InChI

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