methyl 4-(3-methylsulfanylpyridin-4-yl)benzoate

Systemtic Name: methyl 4-(3-methylsulfanylpyridin-4-yl)benzoate Openeye Name: methyl 4-(3-methylsulfanyl-4-pyridyl)benzoate CAS Name: 4-[3-(methylthio)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-methylsulfanylpyridin-4-yl)benzoate Traditional Name: 4-[3-(methylthio)-4-pyridyl]benzoic acid methyl ester Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=NC=C2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=NC=C2)SC

InChI

InChI=1S/C14H13NO2S/c1-17-14(16)11-5-3-10(4-6-11)12-7-8-15-9-13(12)18-2/h3-9H,1-2H3