[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H13BrO5S MolecularWeight: 421.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H13BrO5S/c19-17-9-8-16(25-17)14(20)11-23-18(21)15-7-6-13(24-15)10-22-12-4-2-1-3-5-12/h1-9H,10-11H2