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

Systemtic Name: tert-butyl 2-oxidanylidene-5-phenylsulfanyl-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 2-oxo-5-phenylsulfanyl-1H-pyridine-3-carboxylate CAS Name: 2-oxo-5-(phenylthio)-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-5-phenylsulfanyl-1H-pyridine-3-carboxylate Traditional Name: 2-keto-5-(phenylthio)-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CNC1=O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CNC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3S/c1-16(2,3)20-15(19)13-9-12(10-17-14(13)18)21-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,18)