ethyl 1-ethyl-2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3CCCCC3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N[C@H]3CCCC[C@H]3C

InChI

InChI=1S/C21H29N3O3S/c1-4-24-18-11-10-15(20(26)27-5-2)12-17(18)23-21(24)28-13-19(25)22-16-9-7-6-8-14(16)3/h10-12,14,16H,4-9,13H2,1-3H3,(H,22,25)/t14-,16+/m1/s1