1-ethyl-6-fluoranyl-7-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-[[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[[(1R)-1-carbomethoxy-3-(methylthio)propyl]thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C23H28FN4O5S2- MolecularWeight: 523.620623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(CCSC)C(=O)OC)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N[C@H](CCSC)C(=O)OC)F)C(=O)[O-]

InChI

InChI=1S/C23H29FN4O5S2/c1-4-26-13-15(21(30)31)20(29)14-11-16(24)19(12-18(14)26)27-6-8-28(9-7-27)23(34)25-17(5-10-35-3)22(32)33-2/h11-13,17H,4-10H2,1-3H3,(H,25,34)(H,30,31)/p-1/t17-/m1/s1