ethyl 1-ethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c1-3-29-23-11-10-21(25(31)32-4-2)17-22(23)27-26(29)33-18-24(30)28-14-12-20(13-15-28)16-19-8-6-5-7-9-19/h5-11,17,20H,3-4,12-16,18H2,1-2H3