disodium 3-[[4-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylsulfanylmethyl]-7-methoxy-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]carbothioylsulfanylmethyl]-7-methoxy-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-carbothioyl]sulfanylmethyl]-7-methoxy-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]-sulfanylidenemethyl]thio]methyl]-7-methoxy-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-carbothioyl]sulfanylmethyl]-7-methoxy-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-carbothioyl]thio]methyl]-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C33H30FN5Na2O8S4 MolecularWeight: 817.857943

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC(=S)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])NC(=O)CC7=CC=CS7.[Na+].[Na+]

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC(=S)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])NC(=O)CC7=CC=CS7.[Na+].[Na+]

InChI

InChI=1S/C33H32FN5O8S4.2Na/c1-47-33(35-25(40)11-19-3-2-10-49-19)30(46)39-26(29(44)45)17(15-50-31(33)39)16-51-32(48)37-8-6-36(7-9-37)24-13-23-20(12-22(24)34)27(41)21(28(42)43)14-38(23)18-4-5-18;;/h2-3,10,12-14,18,31H,4-9,11,15-16H2,1H3,(H,35,40)(H,42,43)(H,44,45);;/q;2*+1/p-2