(4-tert-butyl-2-oxidanyl-phenyl) 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-tert-butyl-2-oxidanyl-phenyl) 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (4-tert-butyl-2-hydroxy-phenyl) 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (4-tert-butyl-2-hydroxyphenyl) ester IUPAC Name: (4-tert-butyl-2-hydroxyphenyl) 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (4-tert-butyl-2-hydroxy-phenyl) ester Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S/c1-22(2,3)15-11-12-19(18(24)14-15)26-21(25)17-10-7-13-23-20(17)27-16-8-5-4-6-9-16/h4-14,24H,1-3H3