1-cyclopropyl-7-ethanoyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-7-ethanoyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-acetyl-1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-acetyl-1-cyclopropyl-6-fluoro-4-keto-2-(methylthio)quinoline-3-carboxylate Formula: C16H13FNO4S- MolecularWeight: 334.342123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)[O-])SC)C3CC3)F

Isomeric SMILES

CC(=O)C1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)[O-])SC)C3CC3)F

InChI

InChI=1S/C16H14FNO4S/c1-7(19)9-6-12-10(5-11(9)17)14(20)13(16(21)22)15(23-2)18(12)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,21,22)/p-1