ethanedioic acid; ethyl 4-(2-phenylsulfanylphenyl)-1-prop-2-enyl-piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(2-phenylsulfanylphenyl)-1-prop-2-enyl-piperidine-4-carboxylate Openeye Name: ethyl 1-allyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[2-(phenylthio)phenyl]-1-prop-2-enyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenylsulfanylphenyl)-1-prop-2-enylpiperidine-4-carboxylate; oxalic acid Traditional Name: 1-allyl-4-[2-(phenylthio)phenyl]isonipecotic acid ethyl ester; oxalic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC=C)C2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC=C)C2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO2S.C2H2O4/c1-3-16-24-17-14-23(15-18-24,22(25)26-4-2)20-12-8-9-13-21(20)27-19-10-6-5-7-11-19;3-1(4)2(5)6/h3,5-13H,1,4,14-18H2,2H3;(H,3,4)(H,5,6)