(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(phenylsulfamoyl)benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(phenylsulfamoyl)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(phenylsulfamoyl)benzoate CAS Name: 4-(phenylsulfamoyl)benzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(phenylsulfamoyl)benzoate Traditional Name: 4-(phenylsulfamoyl)benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H19N3O5S2/c1-13-14(2)31-21-19(13)20(26)23-18(24-21)12-30-22(27)15-8-10-17(11-9-15)32(28,29)25-16-6-4-3-5-7-16/h3-11,25H,12H2,1-2H3,(H,23,24,26)