1-cyclopropyl-7-(4-ethoxycarbonylsulfanylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-ethoxycarbonylsulfanylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-ethoxycarbonylsulfanylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(ethoxycarbonylthio)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-ethoxycarbonylsulfanylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(carbethoxythio)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCOC(=O)SN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H22FN3O5S/c1-2-29-20(28)30-23-7-5-22(6-8-23)17-10-16-13(9-15(17)21)18(25)14(19(26)27)11-24(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,26,27)