ethanedioic acid; N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfanyl-propan-1-amine

Systemtic Name: ethanedioic acid; N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfanyl-propan-1-amine Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfanyl-propan-1-amine; oxalic acid CAS Name: N-[2-(4-methoxyphenyl)ethyl]-3-(methylthio)-1-propanamine; oxalic acid IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine; oxalic acid Traditional Name: 2-(4-methoxyphenyl)ethyl-[3-(methylthio)propyl]amine; oxalic acid Formula: C15H23NO5S MolecularWeight: 329.41182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCCCSC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCCCSC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NOS.C2H2O4/c1-15-13-6-4-12(5-7-13)8-10-14-9-3-11-16-2;3-1(4)2(5)6/h4-7,14H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)