1-(5-oxidanylidene-5-phenyl-pentanethioyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(5-oxidanylidene-5-phenyl-pentanethioyl)piperidine-2-carboxylic acid Openeye Name: 1-(5-oxo-5-phenyl-pentanethioyl)piperidine-2-carboxylic acid CAS Name: 1-(5-oxo-5-phenyl-1-sulfanylidenepentyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(5-oxo-5-phenylpentanethioyl)piperidine-2-carboxylic acid Traditional Name: 1-(5-keto-5-phenyl-pentanethioyl)pipecolinic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=S)CCCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=S)CCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c19-15(13-7-2-1-3-8-13)10-6-11-16(22)18-12-5-4-9-14(18)17(20)21/h1-3,7-8,14H,4-6,9-12H2,(H,20,21)