ethyl 2-(3-bicyclo[2.2.1]heptanylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-bicyclo[2.2.1]heptanylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(norbornane-2-carbonylamino)thiophene-3-carboxylate CAS Name: 2-[[3-bicyclo[2.2.1]heptanyl(oxo)methyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(bicyclo[2.2.1]heptane-3-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(norbornane-2-carbonylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3CC4CCC3C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3CC4CCC3C4

InChI

InChI=1S/C21H22BrNO3S/c1-2-26-21(25)18-17(13-5-7-15(22)8-6-13)11-27-20(18)23-19(24)16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16H,2-4,9-10H2,1H3,(H,23,24)