ethyl 1-ethyl-2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-6-22-16-9-8-14(18(24)25-7-2)10-15(16)21-19(22)26-11-17(23)20-13(5)12(3)4/h8-10,12-13H,6-7,11H2,1-5H3,(H,20,23)/t13-/m1/s1