3-(2-bromanyl-5-fluoranyl-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(2-bromanyl-5-fluoranyl-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(2-bromo-5-fluoro-phenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(2-bromo-5-fluorophenyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(2-bromo-5-fluorophenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(2-bromo-5-fluoro-phenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H15BrFN2O4S2- MolecularWeight: 522.387203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=C(C=CC(=C4)F)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C21H16BrFN2O4S2/c22-13-7-6-12(23)9-14(13)31-15-10-30-20-17(19(27)25(20)18(15)21(28)29)24-16(26)8-11-4-2-1-3-5-11/h1-7,9,17,20H,8,10H2,(H,24,26)(H,28,29)/p-1