(6R,7R)-3-(acetyloxymethyl)-7-[2-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]ethanethioylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[2-[2,4-bis(chloranyl)-5-fluoranyl-phenyl]ethanethioylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-(2,4-dichloro-5-fluoro-phenyl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2,4-dichloro-5-fluorophenyl)-1-sulfanylideneethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2,4-dichloro-5-fluorophenyl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-(2,4-dichloro-5-fluoro-phenyl)thioacetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H15Cl2FN2O5S2 MolecularWeight: 493.356503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=S)CC3=CC(=C(C=C3Cl)Cl)F)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=S)CC3=CC(=C(C=C3Cl)Cl)F)SC1)C(=O)O

InChI

InChI=1S/C18H15Cl2FN2O5S2/c1-7(24)28-5-9-6-30-17-14(16(25)23(17)15(9)18(26)27)22-13(29)3-8-2-12(21)11(20)4-10(8)19/h2,4,14,17H,3,5-6H2,1H3,(H,22,29)(H,26,27)/t14-,17-/m1/s1