2-[(2S)-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-1-methylpropyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-butan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-1-methylpropyl]thio]nicotinate Formula: C10H12NO2S- MolecularWeight: 210.27278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)SC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C10H13NO2S/c1-3-7(2)14-9-8(10(12)13)5-4-6-11-9/h4-7H,3H2,1-2H3,(H,12,13)/p-1/t7-/m0/s1