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

Systemtic Name: ethyl 3-(1-adamantylcarbonylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(adamantane-1-carbonylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(adamantane-1-carbonylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(adamantane-1-carbonylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO3S/c1-2-28-22(26)21-19(11-20(29-21)18-6-4-3-5-7-18)25-23(27)24-12-15-8-16(13-24)10-17(9-15)14-24/h3-7,11,15-17H,2,8-10,12-14H2,1H3,(H,25,27)