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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-23(18-12-6-9-15-8-4-5-10-16(15)18)19(24)14-26-21(25)17-11-7-13-22-20(17)27-2/h4-13H,3,14H2,1-2H3