[(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-(phenylcarbonylsulfanyl)ethyl]pent-4-enyl] benzoate

Systemtic Name: [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-(phenylcarbonylsulfanyl)ethyl]pent-4-enyl] benzoate Openeye Name: [(2R)-2-[(1S)-1-benzoylsulfanyl-2-[(4-bromophenyl)methoxy]ethyl]pent-4-enyl] benzoate CAS Name: benzoic acid [(2R)-2-[(1S)-1-(benzoylthio)-2-[(4-bromophenyl)methoxy]ethyl]pent-4-enyl] ester IUPAC Name: [(2R)-2-[(1S)-1-benzoylsulfanyl-2-[(4-bromophenyl)methoxy]ethyl]pent-4-enyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(1S)-1-(benzoylthio)-2-(4-bromobenzyl)oxy-ethyl]pent-4-enyl] ester Formula: C28H27BrO4S MolecularWeight: 539.48058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(COC(=O)C1=CC=CC=C1)C(COCC2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CC[C@H](COC(=O)C1=CC=CC=C1)[C@@H](COCC2=CC=C(C=C2)Br)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H27BrO4S/c1-2-9-24(19-33-27(30)22-10-5-3-6-11-22)26(34-28(31)23-12-7-4-8-13-23)20-32-18-21-14-16-25(29)17-15-21/h2-8,10-17,24,26H,1,9,18-20H2/t24-,26-/m1/s1