[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C19H19BrO4S MolecularWeight: 423.32076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrO4S/c1-23-18-12-15(25-2)9-10-16(18)19(22)24-11-3-4-17(21)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3