ethanedioic acid; 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

Systemtic Name: ethanedioic acid; 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine Openeye Name: 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine; oxalic acid CAS Name: 1-methoxy-N-[[4-(methylthio)phenyl]methyl]-2-propanamine; oxalic acid IUPAC Name: 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine; oxalic acid Traditional Name: (2-methoxy-1-methyl-ethyl)-[4-(methylthio)benzyl]amine; oxalic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NCC1=CC=C(C=C1)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(COC)NCC1=CC=C(C=C1)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NOS.C2H2O4/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11;3-1(4)2(5)6/h4-7,10,13H,8-9H2,1-3H3;(H,3,4)(H,5,6)