methyl 4-[(6-azanylpyridin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-azanylpyridin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-amino-3-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-amino-3-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-aminopyridin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-amino-3-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=CN=C(C=C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=CN=C(C=C2)N

InChI

InChI=1S/C14H14N2O2S/c1-18-14(17)11-4-2-10(3-5-11)9-19-12-6-7-13(15)16-8-12/h2-8H,9H2,1H3,(H2,15,16)