dimethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[(5-bromobenzofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[(5-bromobenzofuran-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C20H16BrNO6S MolecularWeight: 478.31314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OC

InChI

InChI=1S/C20H16BrNO6S/c1-26-19(24)11-4-6-14-15(11)16(20(25)27-2)18(29-14)22-17(23)13-8-9-7-10(21)3-5-12(9)28-13/h3,5,7-8,11H,4,6H2,1-2H3,(H,22,23)