2-[3-(4-methoxyphenoxy)propylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[3-(4-methoxyphenoxy)propylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 2-[3-(4-methoxyphenoxy)propylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 2-[3-(4-methoxyphenoxy)propylthio]-4,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(4-methoxyphenoxy)propylsulfanyl]-4,6-dimethylpyridine-3-carboxylic acid Traditional Name: 2-[3-(4-methoxyphenoxy)propylthio]-4,6-dimethyl-nicotinic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)SCCCOC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)SCCCOC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H21NO4S/c1-12-11-13(2)19-17(16(12)18(20)21)24-10-4-9-23-15-7-5-14(22-3)6-8-15/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)