[5-(2-bromanyl-1,1-dimethoxy-propyl)-2-phenylsulfanyl-phenyl] propanoate

Systemtic Name: [5-(2-bromanyl-1,1-dimethoxy-propyl)-2-phenylsulfanyl-phenyl] propanoate Openeye Name: [5-(2-bromo-1,1-dimethoxy-propyl)-2-phenylsulfanyl-phenyl] propanoate CAS Name: propanoic acid [5-(2-bromo-1,1-dimethoxypropyl)-2-(phenylthio)phenyl] ester IUPAC Name: [5-(2-bromo-1,1-dimethoxypropyl)-2-phenylsulfanylphenyl] propanoate Traditional Name: propionic acid [5-(2-bromo-1,1-dimethoxy-propyl)-2-(phenylthio)phenyl] ester Formula: C20H23BrO4S MolecularWeight: 439.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC(=C1)C(C(C)Br)(OC)OC)SC2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1=C(C=CC(=C1)C(C(C)Br)(OC)OC)SC2=CC=CC=C2

InChI

InChI=1S/C20H23BrO4S/c1-5-19(22)25-17-13-15(20(23-3,24-4)14(2)21)11-12-18(17)26-16-9-7-6-8-10-16/h6-14H,5H2,1-4H3