3-[[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-1-pyridin-1-iumyl]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: 3-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)pyridin-1-ium-1-yl]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C31H26FN4O7S2+ MolecularWeight: 649.689143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CC=[N+](C=C3)CC4=C(N5C(C(C5=O)NC(=O)CC6=CC=CS6)SC4)C(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CC=[N+](C=C3)CC4=C(N5C(C(C5=O)NC(=O)CC6=CC=CS6)SC4)C(=O)O)F)C(=O)O

InChI

InChI=1S/C31H25FN4O7S2/c1-2-35-14-21(30(40)41)27(38)20-11-22(32)19(12-23(20)35)16-5-7-34(8-6-16)13-17-15-45-29-25(28(39)36(29)26(17)31(42)43)33-24(37)10-18-4-3-9-44-18/h3-9,11-12,14,25,29H,2,10,13,15H2,1H3,(H2-,33,37,40,41,42,43)/p+1