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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)N2CCC(CC2)C(=O)O

InChI

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