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

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-4-25-19-12-11-17(21(27)28-5-2)13-18(19)24-22(25)29-15(3)20(26)23-14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)/t15-/m1/s1