ethanedioic acid; 2-(3-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(3-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine Openeye Name: 2-(3-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(3-methoxyphenyl)-N-[[4-(methylthio)phenyl]methyl]ethanamine; oxalic acid IUPAC Name: 2-(3-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid Traditional Name: 2-(3-methoxyphenyl)ethyl-[4-(methylthio)benzyl]amine; oxalic acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CCNCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21NOS.C2H2O4/c1-19-16-5-3-4-14(12-16)10-11-18-13-15-6-8-17(20-2)9-7-15;3-1(4)2(5)6/h3-9,12,18H,10-11,13H2,1-2H3;(H,3,4)(H,5,6)