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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

InChI

InChI=1S/C23H28BrNO4S/c1-23(2,3)14-10-11-17(16(24)13-14)29-12-6-9-19(26)25-21-20(22(27)28-4)15-7-5-8-18(15)30-21/h10-11,13H,5-9,12H2,1-4H3,(H,25,26)