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

Systemtic Name: 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-methylthiazol-4-yl)methylthio]acetyl]isonipecotic acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S2/c1-9-14-11(7-20-9)6-19-8-12(16)15-4-2-10(3-5-15)13(17)18/h7,10H,2-6,8H2,1H3,(H,17,18)