1-cyclopropyl-6-fluoranyl-7-[3-[methanethioyl(sulfanyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-[methanethioyl(sulfanyl)amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-[methanethioyl(sulfanyl)amino]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-[mercapto(methanethioyl)amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-[methanethioyl(sulfanyl)amino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-[mercapto(thioformyl)amino]pyrrolidino]quinoline-3-carboxylic acid Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N(C=S)S)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)N(C=S)S)F)C(=O)O

InChI

InChI=1S/C18H18FN3O3S2/c19-14-5-12-15(6-16(14)20-4-3-11(7-20)22(27)9-26)21(10-1-2-10)8-13(17(12)23)18(24)25/h5-6,8-11,27H,1-4,7H2,(H,24,25)