2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C15H11NO5S/c17-11(9-3-4-12-13(6-9)21-8-20-12)7-22-14-10(15(18)19)2-1-5-16-14/h1-6H,7-8H2,(H,18,19)