[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

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