[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[methyl(1-phenylethyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[methyl(1-phenylethyl)amino]ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-17(18-10-5-3-6-11-18)25(2)21(26)16-28-23(27)20-14-9-15-24-22(20)29-19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3