[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H14BrClO5S MolecularWeight: 445.71206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)Br

InChI

InChI=1S/C17H14BrClO5S/c1-23-14-4-2-10(8-11(14)18)13(21)9-24-17(22)7-3-12(20)15-5-6-16(19)25-15/h2,4-6,8H,3,7,9H2,1H3