3-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(2-bromo-4-ethoxycarbonyl-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-4-ethoxycarbonylphenyl)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-4-ethoxycarbonylphenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(2-bromo-4-carbethoxy-phenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H20BrN2O6S2- MolecularWeight: 576.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-])Br

InChI

InChI=1S/C24H21BrN2O6S2/c1-2-33-24(32)14-8-9-16(15(25)11-14)35-17-12-34-22-19(21(29)27(22)20(17)23(30)31)26-18(28)10-13-6-4-3-5-7-13/h3-9,11,19,22H,2,10,12H2,1H3,(H,26,28)(H,30,31)/p-1