[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C26H27N3O3S/c30-24(27-26-13-17-9-18(14-26)11-19(10-17)15-26)16-32-25(31)22-12-21(23-7-4-8-33-23)28-29(22)20-5-2-1-3-6-20/h1-8,12,17-19H,9-11,13-16H2,(H,27,30)