ethanedioic acid; 2-(3-methylsulfanylpyridin-2-yl)-1,3-benzoxazole

Systemtic Name: ethanedioic acid; 2-(3-methylsulfanylpyridin-2-yl)-1,3-benzoxazole Openeye Name: 2-(3-methylsulfanyl-2-pyridyl)-1,3-benzoxazole; oxalic acid CAS Name: 2-[3-(methylthio)-2-pyridinyl]-1,3-benzoxazole; oxalic acid IUPAC Name: 2-(3-methylsulfanylpyridin-2-yl)-1,3-benzoxazole; oxalic acid Traditional Name: 2-[3-(methylthio)-2-pyridyl]-1,3-benzoxazole; oxalic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N=CC=C1)C2=NC3=CC=CC=C3O2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=C(N=CC=C1)C2=NC3=CC=CC=C3O2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H10N2OS.C2H2O4/c1-17-11-7-4-8-14-12(11)13-15-9-5-2-3-6-10(9)16-13;3-1(4)2(5)6/h2-8H,1H3;(H,3,4)(H,5,6)