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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4S/c1-13(2)14-9-10-17(16(23)12-14)28-11-5-8-19(25)24-21-20(22(26)27-3)15-6-4-7-18(15)29-21/h9-10,12-13H,4-8,11H2,1-3H3,(H,24,25)