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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C12H14BrNO6S MolecularWeight: 380.21166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C12H14BrNO6S/c1-14(8-4-5-21(17,18)7-8)11(15)6-19-12(16)9-2-3-10(13)20-9/h2-3,8H,4-7H2,1H3