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

Systemtic Name: propan-2-yl 3-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 3-[(5-amino-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-amino-2-pyridinyl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(5-aminopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-amino-2-pyridyl)thio]methyl]benzoic acid isopropyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-11(2)20-16(19)13-5-3-4-12(8-13)10-21-15-7-6-14(17)9-18-15/h3-9,11H,10,17H2,1-2H3