methyl 4-(4-bromophenyl)-2-(3-cyclopentylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(3-cyclopentylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(3-cyclopentylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(3-cyclopentylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(3-cyclopentylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCC3CCCC3

InChI

InChI=1S/C20H22BrNO3S/c1-25-20(24)18-16(14-7-9-15(21)10-8-14)12-26-19(18)22-17(23)11-6-13-4-2-3-5-13/h7-10,12-13H,2-6,11H2,1H3,(H,22,23)