methyl 2-(1-adamantylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H24BrNO3S MolecularWeight: 474.41056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H24BrNO3S/c1-28-21(26)19-18(16-2-4-17(24)5-3-16)12-29-20(19)25-22(27)23-9-13-6-14(10-23)8-15(7-13)11-23/h2-5,12-15H,6-11H2,1H3,(H,25,27)