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

Systemtic Name: ethyl 1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C23H26N2O3S/c1-5-16-8-10-17(11-9-16)21(26)15(4)29-23-24-19-14-18(22(27)28-7-3)12-13-20(19)25(23)6-2/h8-15H,5-7H2,1-4H3/t15-/m0/s1