3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonyloxymethyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-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]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carbonyl]oxymethyl]-8-oxo-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]-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-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]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carbonyl]oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C31H34FN5O10S MolecularWeight: 687.692563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)O

InChI

InChI=1S/C31H34FN5O10S/c1-31(2,3)47-29(44)33-22-25(39)37-23(28(42)43)15(14-48-26(22)37)13-46-30(45)35-8-6-34(7-9-35)21-11-20-17(10-19(21)32)24(38)18(27(40)41)12-36(20)16-4-5-16/h10-12,16,22,26H,4-9,13-14H2,1-3H3,(H,33,44)(H,40,41)(H,42,43)