methyl 4-(4-bromophenyl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-6-methylsulfanyl-benzoate

Systemtic Name: methyl 4-(4-bromophenyl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-6-methylsulfanyl-benzoate Openeye Name: methyl 4-(4-bromophenyl)-3-(2-ethoxy-2-oxo-ethyl)-2-methyl-6-methylsulfanyl-benzoate CAS Name: 4-(4-bromophenyl)-3-(2-ethoxy-2-oxoethyl)-2-methyl-6-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-3-(2-ethoxy-2-oxoethyl)-2-methyl-6-methylsulfanylbenzoate Traditional Name: 4-(4-bromophenyl)-3-(2-ethoxy-2-keto-ethyl)-2-methyl-6-(methylthio)benzoic acid methyl ester Formula: C20H21BrO4S MolecularWeight: 437.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(C=C1C2=CC=C(C=C2)Br)SC)C(=O)OC)C

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(C=C1C2=CC=C(C=C2)Br)SC)C(=O)OC)C

InChI

InChI=1S/C20H21BrO4S/c1-5-25-18(22)11-15-12(2)19(20(23)24-3)17(26-4)10-16(15)13-6-8-14(21)9-7-13/h6-10H,5,11H2,1-4H3