ethyl 7-(4-dimethylaminophenyl)-6-fluoranyl-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(4-dimethylaminophenyl)-6-fluoranyl-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-dimethylaminophenyl)-6-fluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 7-(4-dimethylaminophenyl)-6-fluoro-2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-dimethylaminophenyl)-6-fluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 7-(4-dimethylaminophenyl)-6-fluoro-4-keto-2-mercapto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)C3=CC=C(C=C3)N(C)C)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)C3=CC=C(C=C3)N(C)C)S

InChI

InChI=1S/C20H19FN2O3S/c1-4-26-20(25)17-18(24)14-9-15(21)13(10-16(14)22-19(17)27)11-5-7-12(8-6-11)23(2)3/h5-10H,4H2,1-3H3,(H2,22,24,27)