methyl 1-cyclopropyl-6-fluoranyl-7-[methoxycarbonyl(3-methylsulfanylpropyl)amino]-8-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 1-cyclopropyl-6-fluoranyl-7-[methoxycarbonyl(3-methylsulfanylpropyl)amino]-8-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 1-cyclopropyl-6-fluoro-7-[methoxycarbonyl(3-methylsulfanylpropyl)amino]-8-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[methoxycarbonyl-[3-(methylthio)propyl]amino]-8-nitro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-6-fluoro-7-[methoxycarbonyl(3-methylsulfanylpropyl)amino]-8-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[carbomethoxy-[3-(methylthio)propyl]amino]-1-cyclopropyl-6-fluoro-4-keto-8-nitro-quinoline-3-carboxylic acid methyl ester Formula: C20H22FN3O7S MolecularWeight: 467.467983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N(CCCSC)C(=O)OC)[N+](=O)[O-])C3CC3

Isomeric SMILES

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N(CCCSC)C(=O)OC)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C20H22FN3O7S/c1-30-19(26)13-10-23(11-5-6-11)15-12(18(13)25)9-14(21)16(17(15)24(28)29)22(20(27)31-2)7-4-8-32-3/h9-11H,4-8H2,1-3H3