methyl 2-[(3-methanoyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-methanoyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(3-formyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(3-formyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-formyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-formyl-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)thio]acetic acid methyl ester Formula: C12H11N2O4S+ MolecularWeight: 279.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=O)[N+]2=CC=CC=C2N1)C=O

Isomeric SMILES

COC(=O)CSC1=C(C(=O)[N+]2=CC=CC=C2N1)C=O

InChI

InChI=1S/C12H10N2O4S/c1-18-10(16)7-19-11-8(6-15)12(17)14-5-3-2-4-9(14)13-11/h2-6H,7H2,1H3/p+1