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

Systemtic Name: dimethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C25H30BrNO6S MolecularWeight: 552.4778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C25H30BrNO6S/c1-25(2,3)14-8-10-17(16(26)13-14)33-12-6-7-19(28)27-22-21(24(30)32-5)20-15(23(29)31-4)9-11-18(20)34-22/h8,10,13,15H,6-7,9,11-12H2,1-5H3,(H,27,28)