ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N4O5S3 MolecularWeight: 550.7138

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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(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C24H30N4O5S3/c1-3-5-12-28-18-11-10-15(36(25,31)32)13-17(18)26-24(28)34-14-20(29)27-22-21(23(30)33-4-2)16-8-6-7-9-19(16)35-22/h10-11,13H,3-9,12,14H2,1-2H3,(H,27,29)(H2,25,31,32)