(diphenylmethyl) 7-[4-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[4-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 7-(4-bromo-1,3-dioxo-isoindolin-2-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-(4-bromo-1,3-dioxo-2-isoindolyl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-(4-bromo-1,3-dioxoisoindol-2-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-(4-bromo-1,3-diketo-isoindolin-2-yl)-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C29H23BrN2O6S MolecularWeight: 607.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)Br)O

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)Br)O

InChI

InChI=1S/C29H23BrN2O6S/c1-29(37)15-39-27-21(31-24(33)18-13-8-14-19(30)20(18)25(31)34)26(35)32(27)23(29)28(36)38-22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,21-23,27,37H,15H2,1H3