[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-1-methyl-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-[(1,1-dioxo-3-thiolanyl)-ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22BrNO6S MolecularWeight: 472.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C19H22BrNO6S/c1-4-21(14-7-8-28(24,25)10-14)18(22)12(3)26-19(23)17-11(2)15-9-13(20)5-6-16(15)27-17/h5-6,9,12,14H,4,7-8,10H2,1-3H3