(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(m-tolylsulfamoyl)benzoate CAS Name: 3-[(3-methylphenyl)sulfamoyl]benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-(m-tolylsulfamoyl)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C21H17N3O5S2/c1-13-4-2-6-15(10-13)24-31(27,28)16-7-3-5-14(11-16)21(26)29-12-18-22-17-8-9-30-19(17)20(25)23-18/h2-11,24H,12H2,1H3,(H,22,23,25)