ethyl 2-(1-adamantylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3S/c1-3-29-23(27)21-20(19-6-4-15(2)5-7-19)14-30-22(21)26-24(28)25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,14,16-18H,3,8-13H2,1-2H3,(H,26,28)