[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H18N2O4S/c1-11(24-18(23)15-5-4-10-19-17(15)25-3)16(22)13-6-8-14(9-7-13)20-12(2)21/h4-11H,1-3H3,(H,20,21)/t11-/m1/s1