1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[(2-methylthiazol-4-yl)methylthio]propanoyl]nipecotic acid Formula: C14H20N2O3S2 MolecularWeight: 328.4502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H20N2O3S2/c1-10-15-12(9-21-10)8-20-6-4-13(17)16-5-2-3-11(7-16)14(18)19/h9,11H,2-8H2,1H3,(H,18,19)