ethyl 1-ethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C20H27N3O3S/c1-4-23-17-9-8-15(19(25)26-5-2)11-16(17)21-20(23)27-13-18(24)22-10-6-7-14(3)12-22/h8-9,11,14H,4-7,10,12-13H2,1-3H3