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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-ethanoylthiophene-2-carboxylate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic 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 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H12ClN2O4S+ MolecularWeight: 363.79548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C16H11ClN2O4S/c1-9(20)12-3-4-13(24-12)16(22)23-8-11-6-15(21)19-7-10(17)2-5-14(19)18-11/h2-7H,8H2,1H3/p+1