(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-sulfamoylthiophene-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-sulfamoylthiophene-2-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-sulfamoylthiophene-2-carboxylate CAS Name: 3-sulfamoyl-2-thiophenecarboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-sulfamoylthiophene-2-carboxylate Traditional Name: 3-sulfamoylthiophene-2-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C15H14N3O5S2+ MolecularWeight: 380.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N

InChI

InChI=1S/C15H13N3O5S2/c1-9-2-3-12-17-10(6-13(19)18(12)7-9)8-23-15(20)14-11(4-5-24-14)25(16,21)22/h2-7H,8H2,1H3,(H2,16,21,22)/p+1