ethanedioic acid; ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-phenyl-1-[2-(phenylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-phenyl-1-[2-(phenylthio)ethyl]isonipecotic acid ethyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCSC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCSC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27NO2S.C2H2O4/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20;3-1(4)2(5)6/h3-12H,2,13-18H2,1H3;(H,3,4)(H,5,6)