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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4S/c1-4-12(2)13-8-9-16(15(22)10-13)27-11-18(24)23-20-19(21(25)26-3)14-6-5-7-17(14)28-20/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)