2-(1,3-benzodioxol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[[4-(methylthio)phenyl]methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine; oxalic acid Traditional Name: homopiperonyl-[4-(methylthio)benzyl]amine; oxalic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO2S.C2H2O4/c1-21-15-5-2-14(3-6-15)11-18-9-8-13-4-7-16-17(10-13)20-12-19-16;3-1(4)2(5)6/h2-7,10,18H,8-9,11-12H2,1H3;(H,3,4)(H,5,6)