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

Systemtic Name: 3-(4-bromanyl-2-phenyl-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(4-bromo-2-phenyl-phenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-bromo-2-phenylphenyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(4-bromo-2-phenylphenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-bromo-2-phenyl-phenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H21BrN2O4S2 MolecularWeight: 581.50064

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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)Br)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrN2O4S2/c28-18-11-12-20(19(14-18)17-9-5-2-6-10-17)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)