ethyl 2-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O3S3 MolecularWeight: 527.72176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CS3)C4=CC=CS4)C(=O)OCC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CS3)C4=CC=CS4)C(=O)OCC

InChI

InChI=1S/C26H29N3O3S3/c1-3-5-6-9-14-29-20-12-8-7-11-19(20)27-26(29)35-17-22(30)28-24-23(25(31)32-4-2)18(16-34-24)21-13-10-15-33-21/h7-8,10-13,15-16H,3-6,9,14,17H2,1-2H3,(H,28,30)