1,3-dimethyl-2-(3-oxidanylidenepentanoyl)piperidine-2-carbothioate

Systemtic Name: 1,3-dimethyl-2-(3-oxidanylidenepentanoyl)piperidine-2-carbothioate Openeye Name: 1,3-dimethyl-2-(3-oxopentanoyl)piperidine-2-carbothioate CAS Name: 2-(1,3-dioxopentyl)-1,3-dimethyl-2-piperidinecarbothioate IUPAC Name: 1,3-dimethyl-2-(3-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 2-(3-ketopentanoyl)-1,3-dimethyl-thiopipecolinate Formula: C13H20NO3S- MolecularWeight: 270.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1(C(CCCN1C)C)C(=S)[O-]

Isomeric SMILES

CCC(=O)CC(=O)C1(C(CCCN1C)C)C(=S)[O-]

InChI

InChI=1S/C13H21NO3S/c1-4-10(15)8-11(16)13(12(17)18)9(2)6-5-7-14(13)3/h9H,4-8H2,1-3H3,(H,17,18)/p-1