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

Systemtic Name: 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonyloxymethyl]-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbonyl]oxymethyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-oxomethoxy]methyl]-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbonyl]oxymethyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbonyl]oxymethyl]-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C34H32FN5O10S MolecularWeight: 721.708783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)OCC5=C(N6C(C(C6=O)NC(=O)COC7=CC=CC=C7)SC5)C(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)OCC5=C(N6C(C(C6=O)NC(=O)COC7=CC=CC=C7)SC5)C(=O)O)F)C(=O)O

InChI

InChI=1S/C34H32FN5O10S/c35-23-12-21-24(39(19-6-7-19)14-22(29(21)42)32(44)45)13-25(23)37-8-10-38(11-9-37)34(48)50-15-18-17-51-31-27(30(43)40(31)28(18)33(46)47)36-26(41)16-49-20-4-2-1-3-5-20/h1-5,12-14,19,27,31H,6-11,15-17H2,(H,36,41)(H,44,45)(H,46,47)