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

Systemtic Name: 2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(2-methylthiazol-4-yl)methylthio]acetyl]piperazino]acetic acid Formula: C13H19N3O3S2 MolecularWeight: 329.43826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H19N3O3S2/c1-10-14-11(8-21-10)7-20-9-12(17)16-4-2-15(3-5-16)6-13(18)19/h8H,2-7,9H2,1H3,(H,18,19)