tert-butyl 3-chloranyl-2-oxidanylidene-3-pyridin-2-ylsulfanyl-propanoate

Systemtic Name: tert-butyl 3-chloranyl-2-oxidanylidene-3-pyridin-2-ylsulfanyl-propanoate Openeye Name: tert-butyl 3-chloro-2-oxo-3-(2-pyridylsulfanyl)propanoate CAS Name: 3-chloro-2-oxo-3-(2-pyridinylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-2-oxo-3-pyridin-2-ylsulfanylpropanoate Traditional Name: 3-chloro-2-keto-3-(2-pyridylthio)propionic acid tert-butyl ester Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(SC1=CC=CC=N1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(SC1=CC=CC=N1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-12(2,3)17-11(16)9(15)10(13)18-8-6-4-5-7-14-8/h4-7,10H,1-3H3