2,2-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2,2-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2,2-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid CAS Name: 2,2-dimethoxy-N-[[4-(methylthio)phenyl]methyl]ethanamine; oxalic acid IUPAC Name: 2,2-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid Traditional Name: 2,2-dimethoxyethyl-[4-(methylthio)benzyl]amine; oxalic acid Formula: C14H21NO6S MolecularWeight: 331.38464

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNCC1=CC=C(C=C1)SC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC(CNCC1=CC=C(C=C1)SC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NO2S.C2H2O4/c1-14-12(15-2)9-13-8-10-4-6-11(16-3)7-5-10;3-1(4)2(5)6/h4-7,12-13H,8-9H2,1-3H3;(H,3,4)(H,5,6)