ethanedioic acid; 1-[2-[(2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine

Systemtic Name: ethanedioic acid; 1-[2-[(2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine Openeye Name: oxalic acid; 1-[2-[(2-phenylbenzofuran-7-yl)methylsulfanyl]ethyl]piperidine CAS Name: oxalic acid; 1-[2-[(2-phenyl-7-benzofuranyl)methylthio]ethyl]piperidine IUPAC Name: oxalic acid; 1-[2-[(2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine Traditional Name: oxalic acid; 1-[2-[(2-phenylbenzofuran-7-yl)methylthio]ethyl]piperidine Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSCC2=CC=CC3=C2OC(=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCSCC2=CC=CC3=C2OC(=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NOS.C2H2O4/c1-3-8-18(9-4-1)21-16-19-10-7-11-20(22(19)24-21)17-25-15-14-23-12-5-2-6-13-23;3-1(4)2(5)6/h1,3-4,7-11,16H,2,5-6,12-15,17H2;(H,3,4)(H,5,6)