dimethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C25H22BrNO6S MolecularWeight: 544.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br)C(=O)OC

InChI

InChI=1S/C25H22BrNO6S/c1-31-24(29)16-9-11-19-21(16)22(25(30)32-2)23(34-19)27-20(28)13-33-18-10-8-15(12-17(18)26)14-6-4-3-5-7-14/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,27,28)