2-[[2-oxidanyl-4-oxidanylidene-1-(1,3-thiazol-4-ylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-1-(1,3-thiazol-4-ylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-hydroxy-4-oxo-1-(thiazol-4-ylmethyl)quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[2-hydroxy-4-oxo-1-(4-thiazolylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-hydroxy-4-oxo-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[2-hydroxy-4-keto-1-(thiazol-4-ylmethyl)quinoline-3-carbonyl]amino]acetic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=CSC=N3)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(N2CC3=CSC=N3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H13N3O5S/c20-12(21)5-17-15(23)13-14(22)10-3-1-2-4-11(10)19(16(13)24)6-9-7-25-8-18-9/h1-4,7-8,24H,5-6H2,(H,17,23)(H,20,21)