ethanedioic acid; N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine Openeye Name: N-(2-furylmethyl)-1-(4-methylsulfanylphenyl)methanamine; oxalic acid CAS Name: N-(2-furanylmethyl)-1-[4-(methylthio)phenyl]methanamine; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine; oxalic acid Traditional Name: 2-furfuryl-[4-(methylthio)benzyl]amine; oxalic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15NOS.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/h2-8,14H,9-10H2,1H3;(H,3,4)(H,5,6)