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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3S/c1-27-21(25)19-18(17-5-3-2-4-6-17)13-28-20(19)24-22(26)23-10-14-7-15(11-23)9-16(8-14)12-23/h2-6,13-16H,7-12H2,1H3,(H,24,26)