(diphenylmethyl) (6S)-7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6S)-7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6S)-7-[(4-bromo-3-oxo-butanoyl)amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-[(4-bromo-1,3-dioxobutyl)amino]-8-oxo-3-[(E)-2-(4-thiadiazolyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6S)-7-[(4-bromo-3-oxobutanoyl)amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-[(4-bromo-3-keto-butanoyl)amino]-8-keto-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H23BrN4O5S2 MolecularWeight: 639.54002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC(=O)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC5=CSN=N5

Isomeric SMILES

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)CC(=O)CBr)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C5=CSN=N5

InChI

InChI=1S/C28H23BrN4O5S2/c29-14-21(34)13-22(35)30-23-26(36)33-24(19(15-39-27(23)33)11-12-20-16-40-32-31-20)28(37)38-25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,16,23,25,27H,13-15H2,(H,30,35)/b12-11+/t23?,27-/m0/s1