2-[3-(3-methylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[3-(3-methylphenoxy)propylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-(3-methylphenoxy)propylthio]nicotinic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H17NO3S/c1-12-5-2-6-13(11-12)20-9-4-10-21-15-14(16(18)19)7-3-8-17-15/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19)