sodium 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylsulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: sodium 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbothioylsulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: sodium 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbothioyl]sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: sodium 3-[[[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-sulfanylidenemethyl]thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: sodium 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbothioyl]sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: sodium 3-[[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbothioyl]thio]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C32H30FN5NaO7S4+ MolecularWeight: 766.858073

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)O)F)C(=O)O.[Na+]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)SCC5=C(N6C(C(C6=O)NC(=O)CC7=CC=CS7)SC5)C(=O)O)F)C(=O)O.[Na+]

InChI

InChI=1S/C32H30FN5O7S4.Na/c33-21-11-19-22(37(17-3-4-17)13-20(27(19)40)30(42)43)12-23(21)35-5-7-36(8-6-35)32(46)49-15-16-14-48-29-25(28(41)38(29)26(16)31(44)45)34-24(39)10-18-2-1-9-47-18;/h1-2,9,11-13,17,25,29H,3-8,10,14-15H2,(H,34,39)(H,42,43)(H,44,45);/q;+1