2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]propanedioic acid

Systemtic Name: 2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]propanedioic acid Openeye Name: 2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]propanedioic acid CAS Name: 2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]propanedioic acid IUPAC Name: 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]propanedioic acid Traditional Name: 2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]malonic acid Formula: C8H7ClN2O5S MolecularWeight: 278.66958

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)NC(=O)CCl)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C(S1)NC(=O)CCl)C(C(=O)O)C(=O)O

InChI

InChI=1S/C8H7ClN2O5S/c9-1-4(12)11-8-10-3(2-17-8)5(6(13)14)7(15)16/h2,5H,1H2,(H,13,14)(H,15,16)(H,10,11,12)