2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethyl-ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethyl-ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)ethyl-dimethyl-amine; oxalic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2O1.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2O1.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14N2OS.C2H2O4/c1-13(2)7-8-15-11-12-9-5-3-4-6-10(9)14-11;3-1(4)2(5)6/h3-6H,7-8H2,1-2H3;(H,3,4)(H,5,6)