ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27ClN4O5S3 MolecularWeight: 607.16438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)OCC

InChI

InChI=1S/C26H27ClN4O5S3/c1-3-5-12-31-21-11-10-16(39(28,34)35)13-20(21)29-26(31)38-15-22(32)30-24-23(25(33)36-4-2)18(14-37-24)17-8-6-7-9-19(17)27/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,30,32)(H2,28,34,35)