methyl (2S,3R)-1,1-bis(oxidanylidene)-3-(2-pyridin-2-ylethyl)thiolane-2-carboxylate

Systemtic Name: methyl (2S,3R)-1,1-bis(oxidanylidene)-3-(2-pyridin-2-ylethyl)thiolane-2-carboxylate Openeye Name: methyl (2S,3R)-1,1-dioxo-3-[2-(2-pyridyl)ethyl]thiolane-2-carboxylate CAS Name: (2S,3R)-1,1-dioxo-3-[2-(2-pyridinyl)ethyl]-2-thiolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1,1-dioxo-3-(2-pyridin-2-ylethyl)thiolane-2-carboxylate Traditional Name: (2S,3R)-1,1-diketo-3-[2-(2-pyridyl)ethyl]thiolane-2-carboxylic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCS1(=O)=O)CCC2=CC=CC=N2

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](CCS1(=O)=O)CCC2=CC=CC=N2

InChI

InChI=1S/C13H17NO4S/c1-18-13(15)12-10(7-9-19(12,16)17)5-6-11-4-2-3-8-14-11/h2-4,8,10,12H,5-7,9H2,1H3/t10-,12+/m1/s1