ethyl 1-ethyl-2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[1-(4-ethylanilino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(4-ethylanilino)-2-keto-1-methyl-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C23H27N3O3S/c1-5-16-8-11-18(12-9-16)24-21(27)15(4)30-23-25-19-14-17(22(28)29-7-3)10-13-20(19)26(23)6-2/h8-15H,5-7H2,1-4H3,(H,24,27)