ethyl 2-[(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H27N3O3S/c1-6-26-19-12-11-17(22(28)29-7-2)13-18(19)24-23(26)30-16(5)21(27)25-20-14(3)9-8-10-15(20)4/h8-13,16H,6-7H2,1-5H3,(H,25,27)/t16-/m1/s1