2-[(4-methoxyphenyl)sulfanylmethyl]-4-pyridin-2-yl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-4-pyridin-2-yl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-4-(2-pyridyl)butanoic acid CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-4-(2-pyridinyl)butanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-4-pyridin-2-ylbutanoic acid Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-4-(2-pyridyl)butyric acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CCC2=CC=CC=N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CCC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-21-15-7-9-16(10-8-15)22-12-13(17(19)20)5-6-14-4-2-3-11-18-14/h2-4,7-11,13H,5-6,12H2,1H3,(H,19,20)