2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-phenoxyethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-phenoxyethylthio)nicotinic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H13NO3S/c16-14(17)12-7-4-8-15-13(12)19-10-9-18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)