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

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3S/c1-4-27-21-14-13-19(23(29)30-5-2)15-20(21)26-24(27)31-16-22(28)25-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-15,17H,4-5,11-12,16H2,1-3H3,(H,25,28)/t17-/m1/s1