(3-bromanyl-4-methoxy-phenyl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C18H17BrO4S/c1-12(20)11-24-17-6-4-3-5-14(17)18(21)23-10-13-7-8-16(22-2)15(19)9-13/h3-9H,10-11H2,1-2H3