1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2R)-2-phenylsulfanylpropanoyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2R)-2-phenylsulfanylpropanoyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(2R)-2-phenylsulfanylpropanoyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(2R)-1-oxo-2-(phenylthio)propyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(2R)-2-phenylsulfanylpropanoyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[(2R)-2-(phenylthio)propanoyl]piperazino]quinoline-3-carboxylic acid Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)SC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)SC5=CC=CC=C5

InChI

InChI=1S/C26H26FN3O4S/c1-16(35-18-5-3-2-4-6-18)25(32)29-11-9-28(10-12-29)23-14-22-19(13-21(23)27)24(31)20(26(33)34)15-30(22)17-7-8-17/h2-6,13-17H,7-12H2,1H3,(H,33,34)/t16-/m1/s1