[1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H18N2O3S/c1-13(25-20(24)17-8-5-11-21-19(17)26-2)18(23)22-16-10-9-14-6-3-4-7-15(14)12-16/h3-13H,1-2H3,(H,22,23)