ethanedioic acid; N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: ethanedioic acid; N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-3-methylsulfanyl-aniline; oxalic acid CAS Name: N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-(methylthio)aniline; oxalic acid IUPAC Name: N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-methylsulfanylaniline; oxalic acid Traditional Name: (3-benzoxy-4-methoxy-benzyl)-[3-(methylthio)phenyl]amine; oxalic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=CC=C2)SC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=CC=C2)SC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23NO2S.C2H2O4/c1-24-21-12-11-18(15-23-19-9-6-10-20(14-19)26-2)13-22(21)25-16-17-7-4-3-5-8-17;3-1(4)2(5)6/h3-14,23H,15-16H2,1-2H3;(H,3,4)(H,5,6)