[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-13(16(22)21-19(2,3)4)24-18(23)15-11-8-12-20-17(15)25-14-9-6-5-7-10-14/h5-13H,1-4H3,(H,21,22)