[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H15BrO5S MolecularWeight: 423.2777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H15BrO5S/c1-3-22-11-4-5-14-12(8-11)10(2)17(24-14)18(21)23-9-13(20)15-6-7-16(19)25-15/h4-8H,3,9H2,1-2H3