S-pyridin-2-yl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate

Systemtic Name: S-pyridin-2-yl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-(2-pyridyl) (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-(2-pyridyl) ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SC2=CC=CC=N2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SC2=CC=CC=N2

InChI

InChI=1S/C18H24N2O3S/c1-4-18(2,3)15(21)16(22)20-12-8-6-9-13(20)17(23)24-14-10-5-7-11-19-14/h5,7,10-11,13H,4,6,8-9,12H2,1-3H3/t13-/m0/s1