methyl 2-[5-(2-bromanylpropanoyl)-2-phenylsulfanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[5-(2-bromanylpropanoyl)-2-phenylsulfanyl-phenyl]ethanoate Openeye Name: methyl 2-[5-(2-bromopropanoyl)-2-phenylsulfanyl-phenyl]acetate CAS Name: 2-[5-(2-bromo-1-oxopropyl)-2-(phenylthio)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(2-bromopropanoyl)-2-phenylsulfanylphenyl]acetate Traditional Name: 2-[5-(2-bromopropanoyl)-2-(phenylthio)phenyl]acetic acid methyl ester Formula: C18H17BrO3S MolecularWeight: 393.29478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO3S/c1-12(19)18(21)13-8-9-16(14(10-13)11-17(20)22-2)23-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3