ethyl 2-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H26N2O3S/c1-6-25-20-11-10-18(22(27)28-7-2)13-19(20)24-23(25)29-16(5)21(26)17-9-8-14(3)15(4)12-17/h8-13,16H,6-7H2,1-5H3/t16-/m1/s1