disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylamino]methyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylamino]methyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbothioyl]amino]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: disodium 3-[[[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbothioyl]amino]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbothioyl]amino]methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C27H26FN5Na2O7S2 MolecularWeight: 661.632583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CNC(=S)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CNC(=S)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C27H28FN5O7S2.2Na/c1-12(34)20-23(36)33-21(26(39)40)19(42-24(20)33)10-29-27(41)31-6-4-30(5-7-31)18-9-17-14(8-16(18)28)22(35)15(25(37)38)11-32(17)13-2-3-13;;/h8-9,11-13,20,24,34H,2-7,10H2,1H3,(H,29,41)(H,37,38)(H,39,40);;/q;2*+1/p-2