2-[ethanoyl(1,3-thiazol-4-ylmethyl)amino]propanedioic acid

Systemtic Name: 2-[ethanoyl(1,3-thiazol-4-ylmethyl)amino]propanedioic acid Openeye Name: 2-[acetyl(thiazol-4-ylmethyl)amino]propanedioic acid CAS Name: 2-[acetyl(4-thiazolylmethyl)amino]propanedioic acid IUPAC Name: 2-[acetyl(1,3-thiazol-4-ylmethyl)amino]propanedioic acid Traditional Name: 2-[acetyl(thiazol-4-ylmethyl)amino]malonic acid Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CSC=N1)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N(CC1=CSC=N1)C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H10N2O5S/c1-5(12)11(2-6-3-17-4-10-6)7(8(13)14)9(15)16/h3-4,7H,2H2,1H3,(H,13,14)(H,15,16)