ethyl 3-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H31N3O3S2/c1-3-5-6-12-17-31-23-16-11-10-15-21(23)30-28(31)35-19-25(32)29-22-18-24(20-13-8-7-9-14-20)36-26(22)27(33)34-4-2/h7-11,13-16,18H,3-6,12,17,19H2,1-2H3,(H,29,32)