2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)isonicotinic acid Formula: C13H8N2O3S MolecularWeight: 272.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=NC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C13H8N2O3S/c16-12(17)8-5-6-14-11(7-8)19-13-15-9-3-1-2-4-10(9)18-13/h1-7H,(H,16,17)