disodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[4-oxidanylidene-3-(2-phenoxyethanoylamino)-1-sulfonato-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: disodium 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[4-oxidanylidene-3-(2-phenoxyethanoylamino)-1-sulfonato-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate Openeye Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[4-oxo-3-[(2-phenoxyacetyl)amino]-1-sulfonato-azetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate CAS Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[[4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-sulfonato-2-azetidinyl]thio]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylate IUPAC Name: disodium 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[4-oxo-3-[(2-phenoxyacetyl)amino]-1-sulfonatoazetidin-2-yl]sulfanylcarbothioylpiperazin-1-yl]quinoline-3-carboxylate Traditional Name: disodium 1-cyclopropyl-6-fluoro-4-keto-7-[4-[[4-keto-3-[(2-phenoxyacetyl)amino]-1-sulfonato-azetidin-2-yl]thio]carbothioylpiperazino]quinoline-3-carboxylate Formula: C29H26FN5Na2O9S3 MolecularWeight: 749.717783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(C(=O)N5S(=O)(=O)[O-])NC(=O)COC6=CC=CC=C6)F)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SC5C(C(=O)N5S(=O)(=O)[O-])NC(=O)COC6=CC=CC=C6)F)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C29H28FN5O9S3.2Na/c30-20-12-18-21(34(16-6-7-16)14-19(25(18)37)28(39)40)13-22(20)32-8-10-33(11-9-32)29(45)46-27-24(26(38)35(27)47(41,42)43)31-23(36)15-44-17-4-2-1-3-5-17;;/h1-5,12-14,16,24,27H,6-11,15H2,(H,31,36)(H,39,40)(H,41,42,43);;/q;2*+1/p-2