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

Systemtic Name: (7R)-3-[(1-ethyl-6-fluoranyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinolin-3-yl)carbonyloxymethyl]-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (7R)-3-[(1-ethyl-6-fluoro-4-oxo-7-thiomorpholino-quinoline-3-carbonyl)oxymethyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (7R)-3-[[(1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-yl-3-quinolinyl)-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: (7R)-3-[(1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carbonyl)oxymethyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (7R)-3-[(1-ethyl-6-fluoro-4-keto-7-thiomorpholino-quinoline-3-carbonyl)oxymethyl]-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C32H31FN4O8S2 MolecularWeight: 682.738943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)F)C(=O)OCC4=C(N5C(C(C5=O)NC(=O)COC6=CC=CC=C6)SC4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)F)C(=O)OCC4=C(N5C([C@@H](C5=O)NC(=O)COC6=CC=CC=C6)SC4)C(=O)O

InChI

InChI=1S/C32H31FN4O8S2/c1-2-35-14-21(28(39)20-12-22(33)24(13-23(20)35)36-8-10-46-11-9-36)32(43)45-15-18-17-47-30-26(29(40)37(30)27(18)31(41)42)34-25(38)16-44-19-6-4-3-5-7-19/h3-7,12-14,26,30H,2,8-11,15-17H2,1H3,(H,34,38)(H,41,42)/t26-,30?/m1/s1