2-(2-methylpropylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(2-methylpropylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-isobutylsulfanylpyridine-3-carboxylate CAS Name: 2-(2-methylpropylthio)-3-pyridinecarboxylate IUPAC Name: 2-(2-methylpropylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(isobutylthio)nicotinate Formula: C10H12NO2S- MolecularWeight: 210.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C10H13NO2S/c1-7(2)6-14-9-8(10(12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13)/p-1