3-(2-bromanyl-4-phenyl-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-phenyl-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-phenyl-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-phenylphenyl)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-phenylphenyl)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-phenyl-phenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C27H20BrN2O4S2- MolecularWeight: 580.4927

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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=C(C=C4)C5=CC=CC=C5)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=C(C=C(C=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C27H21BrN2O4S2/c28-19-14-18(17-9-5-2-6-10-17)11-12-20(19)36-21-15-35-26-23(25(32)30(26)24(21)27(33)34)29-22(31)13-16-7-3-1-4-8-16/h1-12,14,23,26H,13,15H2,(H,29,31)(H,33,34)/p-1