2-(2-methylpropylsulfanyl)pyridine-4-carboxylate

Systemtic Name: 2-(2-methylpropylsulfanyl)pyridine-4-carboxylate Openeye Name: 2-isobutylsulfanylpyridine-4-carboxylate CAS Name: 2-(2-methylpropylthio)-4-pyridinecarboxylate IUPAC Name: 2-(2-methylpropylsulfanyl)pyridine-4-carboxylate Traditional Name: 2-(isobutylthio)isonicotinate Formula: C10H12NO2S- MolecularWeight: 210.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CSC1=NC=CC(=C1)C(=O)[O-]

InChI

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