ethanedioic acid; N-[(4-ethoxyphenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: ethanedioic acid; N-[(4-ethoxyphenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(4-ethoxyphenyl)methyl]-3-methylsulfanyl-aniline; oxalic acid CAS Name: N-[(4-ethoxyphenyl)methyl]-3-(methylthio)aniline; oxalic acid IUPAC Name: N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline; oxalic acid Traditional Name: (4-ethoxybenzyl)-[3-(methylthio)phenyl]amine; oxalic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NOS.C2H2O4/c1-3-18-15-9-7-13(8-10-15)12-17-14-5-4-6-16(11-14)19-2;3-1(4)2(5)6/h4-11,17H,3,12H2,1-2H3;(H,3,4)(H,5,6)