ethyl 3-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 3-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 3-[(5-amino-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-amino-2-pyridinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-aminopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-amino-2-pyridyl)thio]methyl]benzoic acid ethyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CSC2=NC=C(C=C2)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CSC2=NC=C(C=C2)N

InChI

InChI=1S/C15H16N2O2S/c1-2-19-15(18)12-5-3-4-11(8-12)10-20-14-7-6-13(16)9-17-14/h3-9H,2,10,16H2,1H3