ethyl 5-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethoxy]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethoxy]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethoxy]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H20BrNO7 MolecularWeight: 490.3007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4)C

InChI

InChI=1S/C22H20BrNO7/c1-3-27-22(26)21-12(2)31-17-5-4-13(8-14(17)21)30-11-20(25)24-16-10-19-18(9-15(16)23)28-6-7-29-19/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,25)