5-ethyl-2-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]benzoic acid

Systemtic Name: 5-ethyl-2-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]benzoic acid Openeye Name: 5-ethyl-2-[(7-methylsulfanyl-5,8-dioxo-6-quinolyl)amino]benzoic acid CAS Name: 5-ethyl-2-[[7-(methylthio)-5,8-dioxo-6-quinolinyl]amino]benzoic acid IUPAC Name: 5-ethyl-2-[(7-methylsulfanyl-5,8-dioxoquinolin-6-yl)amino]benzoic acid Traditional Name: 2-[[5,8-diketo-7-(methylthio)-6-quinolyl]amino]-5-ethyl-benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-3-10-6-7-13(12(9-10)19(24)25)21-15-16(22)11-5-4-8-20-14(11)17(23)18(15)26-2/h4-9,21H,3H2,1-2H3,(H,24,25)