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

Systemtic Name: disodium 3-[4-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 3-[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbonyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 3-[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-oxomethyl]-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-[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbonyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 3-[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbonyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H26FN5Na2O8S2 MolecularWeight: 725.674783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C5=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)N4CCN(CC4)C(=O)C5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)[O-])F)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C31H28FN5O8S2.2Na/c32-20-11-17-21(36(15-3-4-15)13-18(26(17)39)30(42)43)12-22(20)34-5-7-35(8-6-34)27(40)19-14-47-29-24(28(41)37(29)25(19)31(44)45)33-23(38)10-16-2-1-9-46-16;;/h1-2,9,11-13,15,24,29H,3-8,10,14H2,(H,33,38)(H,42,43)(H,44,45);;/q;2*+1/p-2