1-ethyl-5,8-bis(oxidanyl)-4-oxidanylidene-6-pyridin-2-ylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-5,8-bis(oxidanyl)-4-oxidanylidene-6-pyridin-2-ylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-5,8-dihydroxy-4-oxo-6-(2-pyridylsulfanyl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-5,8-dihydroxy-4-oxo-6-(2-pyridinylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-5,8-dihydroxy-4-oxo-6-pyridin-2-ylsulfanylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-5,8-dihydroxy-4-keto-6-(2-pyridylthio)quinoline-3-carboxylic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=CC(=C2O)SC3=CC=CC=N3)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=CC(=C2O)SC3=CC=CC=N3)O)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c1-2-19-8-9(17(23)24)15(21)13-14(19)10(20)7-11(16(13)22)25-12-5-3-4-6-18-12/h3-8,20,22H,2H2,1H3,(H,23,24)