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

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H19N3O4S/c1-11(25-18(24)15-5-4-10-19-17(15)26-3)16(23)21-14-8-6-13(7-9-14)20-12(2)22/h4-11H,1-3H3,(H,20,22)(H,21,23)