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

Systemtic Name: 2-(3-phenoxypropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(3-phenoxypropylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(3-phenoxypropylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(3-phenoxypropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-phenoxypropylthio)nicotinic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO3S/c17-15(18)13-8-4-9-16-14(13)20-11-5-10-19-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,17,18)