ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-4-isobutoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-bromo-4-isobutoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

InChI

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