diethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H23N3O6S3 MolecularWeight: 485.59742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O6S3/c1-4-27-17(23)14-11(3)15(18(24)28-5-2)30-16(14)22-19(29)21-10-12-6-8-13(9-7-12)31(20,25)26/h6-9H,4-5,10H2,1-3H3,(H2,20,25,26)(H2,21,22,29)