ethanedioic acid; 1-(4-methylsulfanylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylsulfanylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine Openeye Name: 1-(4-methylsulfanylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid CAS Name: 1-[4-(methylthio)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-methylsulfanylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: [4-(methylthio)benzyl]-(3,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO3S.C2H2O4/c1-20-16-9-14(10-17(21-2)18(16)22-3)12-19-11-13-5-7-15(23-4)8-6-13;3-1(4)2(5)6/h5-10,19H,11-12H2,1-4H3;(H,3,4)(H,5,6)