tert-butyl 5-ethylsulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 5-ethylsulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 5-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-(ethylthio)-2-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-(ethylthio)-2-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CNC(=O)C(=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCSC1=CNC(=O)C(=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H17NO3S/c1-5-17-8-6-9(10(14)13-7-8)11(15)16-12(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)