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

Systemtic Name: ethyl 5-ethyl-2-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2CC)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2CC)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S2/c1-5-16-13(4)18(20(26)27-7-3)19(29-16)23-17(25)12-28-21-22-14-10-8-9-11-15(14)24(21)6-2/h8-11H,5-7,12H2,1-4H3,(H,23,25)