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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H26ClNO3S MolecularWeight: 443.98614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClNO3S/c1-2-29-22(27)20-19(17-3-5-18(25)6-4-17)13-30-21(20)26-23(28)24-10-14-7-15(11-24)9-16(8-14)12-24/h3-6,13-16H,2,7-12H2,1H3,(H,26,28)