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

Systemtic Name: ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30N4O5S3 MolecularWeight: 586.7459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=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=C1SC(C)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H30N4O5S3/c1-4-6-14-31-22-13-12-19(39(28,34)35)15-21(22)29-27(31)38-17(3)24(32)30-25-23(26(33)36-5-2)20(16-37-25)18-10-8-7-9-11-18/h7-13,15-17H,4-6,14H2,1-3H3,(H,30,32)(H2,28,34,35)