disodium 3-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylamino]methyl]-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]carbothioylamino]methyl]-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]amino]methyl]-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]amino]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-[[[4-(3-carboxylato-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbothioyl]amino]methyl]-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]amino]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C32H29FN6Na2O7S3 MolecularWeight: 770.781603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NCC5=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(=S)NCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)[O-])F)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H31FN6O7S3.2Na/c33-21-11-19-22(38(17-3-4-17)14-20(27(19)41)30(43)44)12-23(21)36-5-7-37(8-6-36)32(47)34-13-16-15-49-29-25(28(42)39(29)26(16)31(45)46)35-24(40)10-18-2-1-9-48-18;;/h1-2,9,11-12,14,17,25,29H,3-8,10,13,15H2,(H,34,47)(H,35,40)(H,43,44)(H,45,46);;/q;2*+1/p-2