tert-butyl 3-ethanoyl-6-methylsulfanyl-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-ethanoyl-6-methylsulfanyl-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 3-acetyl-6-methylsulfanyl-2H-pyridine-1-carboxylate CAS Name: 3-acetyl-6-(methylthio)-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-6-methylsulfanyl-2H-pyridine-1-carboxylate Traditional Name: 3-acetyl-6-(methylthio)-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(N(C1)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CC(=O)C1=CC=C(N(C1)C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C13H19NO3S/c1-9(15)10-6-7-11(18-5)14(8-10)12(16)17-13(2,3)4/h6-7H,8H2,1-5H3