dimethyl 3-methyl-5-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H21N3O7S3 MolecularWeight: 547.62374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21N3O7S3/c1-13-17(21(28)32-2)20(35-18(13)22(29)33-3)25-23(34)24-15-9-11-16(12-10-15)36(30,31)26-19(27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,26,27)(H2,24,25,34)