3-[2-[4-oxidanylidene-2-[(4-sulfamoylphenyl)amino]-1,3-thiazol-5-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[4-oxidanylidene-2-[(4-sulfamoylphenyl)amino]-1,3-thiazol-5-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[4-oxo-2-(4-sulfamoylanilino)thiazol-5-yl]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[4-oxo-2-(4-sulfamoylanilino)-5-thiazolyl]ethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-oxo-2-(4-sulfamoylanilino)-1,3-thiazol-5-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-keto-2-(4-sulfamoylanilino)-2-thiazolin-5-yl]acetyl]amino]propionic acid Formula: C14H16N4O6S2 MolecularWeight: 400.43004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=O)C(S2)CC(=O)NCCC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=O)C(S2)CC(=O)NCCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C14H16N4O6S2/c15-26(23,24)9-3-1-8(2-4-9)17-14-18-13(22)10(25-14)7-11(19)16-6-5-12(20)21/h1-4,10H,5-7H2,(H,16,19)(H,20,21)(H2,15,23,24)(H,17,18,22)