[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C34H39BrN2O8S MolecularWeight: 715.65106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC)SC1)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)OC)SC1)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C34H39BrN2O8S/c1-19(38)44-16-22-18-46-31-34(43-8,36-15-20-13-24(32(2,3)4)28(40)25(14-20)33(5,6)7)30(42)37(31)27(22)29(41)45-17-26(39)21-9-11-23(35)12-10-21/h9-15,31,36H,16-18H2,1-8H3