6-[(2S)-butan-2-yl]sulfanyl-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: 6-[(2S)-butan-2-yl]sulfanyl-5-chloranyl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-[(1S)-1-methylpropyl]sulfanyl-pyridine-3-carboxylate CAS Name: 6-[[(2S)-butan-2-yl]thio]-5-chloro-3-pyridinecarboxylate IUPAC Name: 6-[(2S)-butan-2-yl]sulfanyl-5-chloropyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(1S)-1-methylpropyl]thio]nicotinate Formula: C10H11ClNO2S- MolecularWeight: 244.71784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO2S/c1-3-6(2)15-9-8(11)4-7(5-12-9)10(13)14/h4-6H,3H2,1-2H3,(H,13,14)/p-1/t6-/m0/s1