methyl 3-[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H18N4O5S3 MolecularWeight: 454.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H18N4O5S3/c1-3-21-13-5-4-10(29(18,24)25)8-12(13)20-17(21)28-9-14(22)19-11-6-7-27-15(11)16(23)26-2/h4-8H,3,9H2,1-2H3,(H,19,22)(H2,18,24,25)