ethyl 8-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=CC=CC=[N+]3[O-])OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=CC=CC=[N+]3[O-])OCOC2

InChI

InChI=1S/C17H17NO5S/c1-2-22-17(19)12-7-13-9-21-11-23-16(13)14(8-12)10-24-15-5-3-4-6-18(15)20/h3-8H,2,9-11H2,1H3