6-pyridin-3-yl-1,3-benzoxathiole-2-carboxylic acid

Systemtic Name: 6-pyridin-3-yl-1,3-benzoxathiole-2-carboxylic acid Openeye Name: 6-(3-pyridyl)-1,3-benzoxathiole-2-carboxylic acid CAS Name: 6-(3-pyridinyl)-1,3-benzoxathiole-2-carboxylic acid IUPAC Name: 6-pyridin-3-yl-1,3-benzoxathiole-2-carboxylic acid Traditional Name: 6-(3-pyridyl)-1,3-benzoxathiole-2-carboxylic acid Formula: C13H9NO3S MolecularWeight: 259.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC3=C(C=C2)SC(O3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CC3=C(C=C2)SC(O3)C(=O)O

InChI

InChI=1S/C13H9NO3S/c15-12(16)13-17-10-6-8(3-4-11(10)18-13)9-2-1-5-14-7-9/h1-7,13H,(H,15,16)