2-(2-methylsulfanylpyrimidin-5-yl)-1,3-benzoxazole-7-carboxylic acid

Systemtic Name: 2-(2-methylsulfanylpyrimidin-5-yl)-1,3-benzoxazole-7-carboxylic acid Openeye Name: 2-(2-methylsulfanylpyrimidin-5-yl)-1,3-benzoxazole-7-carboxylic acid CAS Name: 2-[2-(methylthio)-5-pyrimidinyl]-1,3-benzoxazole-7-carboxylic acid IUPAC Name: 2-(2-methylsulfanylpyrimidin-5-yl)-1,3-benzoxazole-7-carboxylic acid Traditional Name: 2-[2-(methylthio)pyrimidin-5-yl]-1,3-benzoxazole-7-carboxylic acid Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C2=NC3=CC=CC(=C3O2)C(=O)O

Isomeric SMILES

CSC1=NC=C(C=N1)C2=NC3=CC=CC(=C3O2)C(=O)O

InChI

InChI=1S/C13H9N3O3S/c1-20-13-14-5-7(6-15-13)11-16-9-4-2-3-8(12(17)18)10(9)19-11/h2-6H,1H3,(H,17,18)