4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid

Systemtic Name: 4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid Openeye Name: 4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid CAS Name: 4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid IUPAC Name: 4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid Traditional Name: 4H-[1,5]benzoxathiepino[3,4-b]pyridine-2-carboxylic acid Formula: C13H9NO3S MolecularWeight: 259.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC=C3C(=CC(=CN3)C(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)OC=C3C(=CC(=CN3)C(=O)O)S2

InChI

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