ethyl 1-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-[2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl]sulfanylquinoxalin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-[[2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl]thio]-2-quinoxalinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-[[2-(4-carbethoxypiperidino)-2-keto-ethyl]thio]quinoxalin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C28H36N4O6S2 MolecularWeight: 588.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H36N4O6S2/c1-3-37-27(35)19-9-13-31(14-10-19)23(33)17-39-25-26(30-22-8-6-5-7-21(22)29-25)40-18-24(34)32-15-11-20(12-16-32)28(36)38-4-2/h5-8,19-20H,3-4,9-18H2,1-2H3