[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-butylsulfanyl-6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-butylsulfanyl-6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-butylsulfanyl-6-[(E)-4-methoxy-4-oxo-but-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(butylthio)-6-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-butylsulfanyl-6-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(butylthio)-7-keto-6-[(E)-4-keto-4-methoxy-but-2-enyl]-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C24H28BrNO6S MolecularWeight: 538.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1CC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)CC=CC(=O)OC

Isomeric SMILES

CCCCSC1CC2C(C(=O)N2C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)C/C=C/C(=O)OC

InChI

InChI=1S/C24H28BrNO6S/c1-3-4-12-33-20-13-18-17(6-5-7-21(28)31-2)23(29)26(18)22(20)24(30)32-14-19(27)15-8-10-16(25)11-9-15/h5,7-11,17-18,20,22H,3-4,6,12-14H2,1-2H3/b7-5+