[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H20N2O3S/c1-14(16-10-5-8-15-7-3-4-9-17(15)16)23-19(24)13-26-21(25)18-11-6-12-22-20(18)27-2/h3-12,14H,13H2,1-2H3,(H,23,24)