ethyl 4-bromanyl-2-methanoyl-7-methyl-5-thiophen-2-ylcarbonyloxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-thiophen-2-ylcarbonyloxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-(thiophene-2-carbonyloxy)benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-[oxo(thiophen-2-yl)methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-(2-thenoyloxy)benzofuran-3-carboxylic acid ethyl ester Formula: C18H13BrO6S MolecularWeight: 437.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=CS3)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=CS3)Br)C=O

InChI

InChI=1S/C18H13BrO6S/c1-3-23-18(22)13-11(8-20)24-16-9(2)7-10(15(19)14(13)16)25-17(21)12-5-4-6-26-12/h4-8H,3H2,1-2H3