ethanedioic acid; N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine

Systemtic Name: ethanedioic acid; N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-tetrahydrofuran-2-yl-methanamine; oxalic acid CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-(2-oxolanyl)methanamine; oxalic acid IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine; oxalic acid Traditional Name: [4-(methylthio)benzyl]-(tetrahydrofurfuryl)amine; oxalic acid Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCC2CCCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNCC2CCCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NOS.C2H2O4/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12;3-1(4)2(5)6/h4-7,12,14H,2-3,8-10H2,1H3;(H,3,4)(H,5,6)