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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O4S3 MolecularWeight: 427.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C17H21N3O4S3/c1-4-13-10(2)26-15(14(13)16(21)24-3)20-17(25)19-9-11-5-7-12(8-6-11)27(18,22)23/h5-8H,4,9H2,1-3H3,(H2,18,22,23)(H2,19,20,25)