[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=C(N=CC=C2)SC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=C(N=CC=C2)SC)C)C

InChI

InChI=1S/C21H26N2O4S/c1-14-11-15(2)16(3)18(12-14)26-10-6-9-22-19(24)13-27-21(25)17-7-5-8-23-20(17)28-4/h5,7-8,11-12H,6,9-10,13H2,1-4H3,(H,22,24)