ethyl 2-(1-adamantylcarbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-methyl-4-phenyl-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=CC=C2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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