2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl thiophene-2-carboxylate

Systemtic Name: 2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl thiophene-2-carboxylate Openeye Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[[1-oxo-2-(2-phenyl-2-adamantyl)ethyl]amino]ethyl ester IUPAC Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl ester Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H29NO3S/c27-23(26-8-9-29-24(28)22-7-4-10-30-22)16-25(19-5-2-1-3-6-19)20-12-17-11-18(14-20)15-21(25)13-17/h1-7,10,17-18,20-21H,8-9,11-16H2,(H,26,27)