ethanedioic acid; (3E)-1-(phenylmethyl)-3-(1-phenylsulfanylethylidene)piperidine

Systemtic Name: ethanedioic acid; (3E)-1-(phenylmethyl)-3-(1-phenylsulfanylethylidene)piperidine Openeye Name: (3E)-1-benzyl-3-(1-phenylsulfanylethylidene)piperidine; oxalic acid CAS Name: oxalic acid; (3E)-1-(phenylmethyl)-3-[1-(phenylthio)ethylidene]piperidine IUPAC Name: (3E)-1-benzyl-3-(1-phenylsulfanylethylidene)piperidine; oxalic acid Traditional Name: (3E)-1-benzyl-3-[1-(phenylthio)ethylidene]piperidine; oxalic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCCN(C1)CC2=CC=CC=C2)SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C/C(=C\1/CCCN(C1)CC2=CC=CC=C2)/SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NS.C2H2O4/c1-17(22-20-12-6-3-7-13-20)19-11-8-14-21(16-19)15-18-9-4-2-5-10-18;3-1(4)2(5)6/h2-7,9-10,12-13H,8,11,14-16H2,1H3;(H,3,4)(H,5,6)/b19-17+;