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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-9-12(10(2)20-15-9)7-21-8-13(17)16-5-3-4-11(6-16)14(18)19/h11H,3-8H2,1-2H3,(H,18,19)