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

Systemtic Name: 3-[4-[2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(4-methyl-2-oxo-3-thiazolyl)-1-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(2-keto-4-methyl-4-thiazolin-3-yl)acetyl]piperazino]propionic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CSC(=O)N1CC(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-10-9-21-13(20)16(10)8-11(17)15-6-4-14(5-7-15)3-2-12(18)19/h9H,2-8H2,1H3,(H,18,19)