1,3-dimethyl-2-(3-oxidanylidenepentanoyl)piperidine-2-carbothioic S-acid

Systemtic Name: 1,3-dimethyl-2-(3-oxidanylidenepentanoyl)piperidine-2-carbothioic S-acid Openeye Name: 1,3-dimethyl-2-(3-oxopentanoyl)piperidine-2-carbothioic S-acid CAS Name: 2-(1,3-dioxopentyl)-1,3-dimethyl-2-piperidinecarbothioic S-acid IUPAC Name: 1,3-dimethyl-2-(3-oxopentanoyl)piperidine-2-carbothioic S-acid Traditional Name: 2-(3-ketopentanoyl)-1,3-dimethyl-thiopipecolinic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C1(C(CCCN1C)C)C(=O)S

Isomeric SMILES

CCC(=O)CC(=O)C1(C(CCCN1C)C)C(=O)S

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)