[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H14BrClO4S MolecularWeight: 429.71266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H14BrClO4S/c1-10(17(22)11-2-4-12(18)5-3-11)23-16(21)9-6-13(20)14-7-8-15(19)24-14/h2-5,7-8,10H,6,9H2,1H3