1-ethyl-4,5,8-tris(oxidanylidene)-6-phenylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-4,5,8-tris(oxidanylidene)-6-phenylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4,5,8-trioxo-6-phenylsulfanyl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-4,5,8-trioxo-6-(phenylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4,5,8-trioxo-6-phenylsulfanylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4,5,8-triketo-6-(phenylthio)quinoline-3-carboxylic acid Formula: C18H13NO5S MolecularWeight: 355.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=O)C=C(C2=O)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=O)C=C(C2=O)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H13NO5S/c1-2-19-9-11(18(23)24)16(21)14-15(19)12(20)8-13(17(14)22)25-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,23,24)