1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]pipecolinic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-9-11(10(2)20-15-9)7-21-8-13(17)16-6-4-3-5-12(16)14(18)19/h12H,3-8H2,1-2H3,(H,18,19)