1-(4-methyl-2-oxidanylidene-pentanethioyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(4-methyl-2-oxidanylidene-pentanethioyl)piperidine-2-carboxylic acid Openeye Name: 1-(4-methyl-2-oxo-pentanethioyl)piperidine-2-carboxylic acid CAS Name: 1-(4-methyl-2-oxo-1-sulfanylidenepentyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(4-methyl-2-oxopentanethioyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-keto-4-methyl-pentanethioyl)pipecolinic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-8(2)7-10(14)11(17)13-6-4-3-5-9(13)12(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)