(3,3-dimethyl-2-oxidanylidene-butyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-13(2,3)10(15)8-17-12(16)9-6-5-7-14-11(9)18-4/h5-7H,8H2,1-4H3