ethyl 1-[2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-[[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl]thio]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[[2-(4-carbethoxypiperidino)-2-keto-ethyl]thio]benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C27H36N2O8S MolecularWeight: 548.64834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C27H36N2O8S/c1-3-35-25(32)19-9-13-28(14-10-19)23(30)17-37-27(34)21-7-5-6-8-22(21)38-18-24(31)29-15-11-20(12-16-29)26(33)36-4-2/h5-8,19-20H,3-4,9-18H2,1-2H3