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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)S

InChI

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