tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-thiophen-3-yl-ethyl)-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-thiophen-3-yl-ethyl)-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-hydroxy-2-(3-thienyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-hydroxy-2-(3-thiophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-hydroxy-2-(3-thienyl)ethyl]-4-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CSC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CSC=C2)O

InChI

InChI=1S/C16H19NO4S/c1-16(2,3)21-15(20)12-8-17-11(7-14(12)19)6-13(18)10-4-5-22-9-10/h4-5,7-9,13,18H,6H2,1-3H3,(H,17,19)