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

Systemtic Name: dimethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H19N3O6S3 MolecularWeight: 457.54426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C17H19N3O6S3/c1-9-12(15(21)25-2)14(28-13(9)16(22)26-3)20-17(27)19-8-10-4-6-11(7-5-10)29(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H2,19,20,27)