1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-methyl-4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazino]quinoline-3-carboxylic acid Formula: C25H25FN8O6S MolecularWeight: 584.579403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NN=C(S2)C3=NC=C(N3C)[N+](=O)[O-])C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1CN(CCN1C2=NN=C(S2)C3=NC=C(N3C)[N+](=O)[O-])C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C25H25FN8O6S/c1-12-10-31(6-7-32(12)25-29-28-23(41-25)22-27-9-17(30(22)2)34(38)39)19-16(26)8-14-18(21(19)40-3)33(13-4-5-13)11-15(20(14)35)24(36)37/h8-9,11-13H,4-7,10H2,1-3H3,(H,36,37)