(6S,7S)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: (6S,7S)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: (6S,7S)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloro-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: (6S,7S)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloro-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: (6S,7S)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: (6S,7S)-3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-chloro-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H21ClFN3O8S MolecularWeight: 541.933843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O.CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C12H9ClFNO3.C10H12N2O5S/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15;1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h3-5H,2H2,1H3,(H,17,18);6,9H,2-3,11H2,1H3,(H,15,16)/t;6-,9-/m.0/s1