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

Systemtic Name: ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N4O5S3 MolecularWeight: 572.71932

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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=C4)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=C4)C(=O)OCC

InChI

InChI=1S/C26H28N4O5S3/c1-3-5-13-30-21-12-11-18(38(27,33)34)14-20(21)28-26(30)37-16-22(31)29-24-23(25(32)35-4-2)19(15-36-24)17-9-7-6-8-10-17/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,29,31)(H2,27,33,34)