8-(pyridin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-(pyridin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(2-pyridylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(2-pyridinylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(pyridin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(2-pyridylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C15H12NO4S- MolecularWeight: 302.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)[O-])CSC3=CC=CC=N3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)[O-])CSC3=CC=CC=N3)OCO1

InChI

InChI=1S/C15H13NO4S/c17-15(18)10-5-11-7-19-9-20-14(11)12(6-10)8-21-13-3-1-2-4-16-13/h1-6H,7-9H2,(H,17,18)/p-1