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

Systemtic Name: ethyl 2-[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-4-24-18-11-8-15(20(26)27-5-2)12-17(18)23-21(24)28-13(3)19(25)14-6-9-16(22)10-7-14/h6-13H,4-5H2,1-3H3/t13-/m1/s1