[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19BrO4S MolecularWeight: 423.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrO4S/c1-11-10-16(13(3)25-11)17(21)8-9-18(22)24-12(2)19(23)14-4-6-15(20)7-5-14/h4-7,10,12H,8-9H2,1-3H3