ethyl 5-(diethylcarbamoyl)-2-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OCC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OCC

InChI

InChI=1S/C28H38N4O4S2/c1-6-10-11-14-17-32-21-16-13-12-15-20(21)29-28(32)37-18-22(33)30-25-23(27(35)36-9-4)19(5)24(38-25)26(34)31(7-2)8-3/h12-13,15-16H,6-11,14,17-18H2,1-5H3,(H,30,33)