2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(piperonylthio)nicotinic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c16-14(17)10-2-1-5-15-13(10)20-7-9-3-4-11-12(6-9)19-8-18-11/h1-6H,7-8H2,(H,16,17)