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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)piperidine-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-2-piperidinecarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)piperidine-2-carbothioic S-acid Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)thiopipecolinic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)S

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)S

InChI

InChI=1S/C12H19NO3S/c1-12(2,3)9(14)10(15)13-7-5-4-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)