methyl 2-[3-(4-bromanylphenoxy)-2-oxidanylidene-propyl]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-bromanylphenoxy)-2-oxidanylidene-propyl]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromophenoxy)-2-oxo-propyl]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[3-(4-bromophenoxy)-2-oxopropyl]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromophenoxy)-2-oxopropyl]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromophenoxy)-2-keto-propyl]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)CC(=O)COC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)CC(=O)COC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H17BrO4S/c1-10-11(2)23-15(16(10)17(20)21-3)8-13(19)9-22-14-6-4-12(18)5-7-14/h4-7H,8-9H2,1-3H3