disodium 3-[[1-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)pyrrolidin-3-yl]carbamoyloxymethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium 3-[[1-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)pyrrolidin-3-yl]carbamoyloxymethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 3-[[1-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)pyrrolidin-3-yl]carbamoyloxymethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 3-[[[[1-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-3-pyrrolidinyl]amino]-oxomethoxy]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium 3-[[1-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)pyrrolidin-3-yl]carbamoyloxymethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 3-[[1-(3-carboxylato-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)pyrrolidin-3-yl]carbamoyloxymethyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C32H28FN5Na2O9S2 MolecularWeight: 755.700763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)NC(=O)OCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)[O-])F)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)NC(=O)OCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)[O-])F)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H30FN5O9S2.2Na/c33-21-9-19-22(37(17-3-4-17)12-20(27(19)40)30(42)43)10-23(21)36-6-5-16(11-36)34-32(46)47-13-15-14-49-29-25(28(41)38(29)26(15)31(44)45)35-24(39)8-18-2-1-7-48-18;;/h1-2,7,9-10,12,16-17,25,29H,3-6,8,11,13-14H2,(H,34,46)(H,35,39)(H,42,43)(H,44,45);;/q;2*+1/p-2