ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O4S3/c1-3-28-20(25)18-17(14-7-5-4-6-8-14)13(2)30-19(18)24-21(29)23-15-9-11-16(12-10-15)31(22,26)27/h4-12H,3H2,1-2H3,(H2,22,26,27)(H2,23,24,29)