propan-2-yl 4-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(5-azanylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(5-amino-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-amino-2-pyridinyl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-aminopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-amino-2-pyridyl)thio]methyl]benzoic acid isopropyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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