methyl 4-[(E)-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(5-bromo-2-thienyl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(5-bromo-2-thiophenyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(5-bromo-2-thienyl)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H13BrO5S MolecularWeight: 409.25112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H13BrO5S/c1-22-17(21)12-5-2-11(3-6-12)4-9-16(20)23-10-13(19)14-7-8-15(18)24-14/h2-9H,10H2,1H3/b9-4+