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

Systemtic Name: ethyl 1-ethyl-2-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-[benzyl(methyl)amino]-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)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-5-26-20-13-12-18(22(28)29-6-2)14-19(20)24-23(26)30-16(3)21(27)25(4)15-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3/t16-/m1/s1