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

Systemtic Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H17N3O4S3 MolecularWeight: 399.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C15H17N3O4S3/c1-3-10-8-12(14(19)22-2)13(24-10)18-15(23)17-9-4-6-11(7-5-9)25(16,20)21/h4-8H,3H2,1-2H3,(H2,16,20,21)(H2,17,18,23)