4-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]methyl]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-11-7-14(9-22-2)15(8-18)16(19-11)23-10-12-3-5-13(6-4-12)17(20)21/h3-7H,9-10H2,1-2H3,(H,20,21)