methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(2-pyridylsulfanylmethyl)benzoate CAS Name: 4-[(2-pyridinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(2-pyridylthio)methyl]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)CSC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=CC=CC=N2

InChI

InChI=1S/C14H13NO2S/c1-17-14(16)12-7-5-11(6-8-12)10-18-13-4-2-3-9-15-13/h2-9H,10H2,1H3