[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H26N2O4S/c27-21(26-22-17-8-14-7-15(10-17)11-18(22)9-14)13-30-24(29)16-3-1-4-19(12-16)25-23(28)20-5-2-6-31-20/h1-6,12,14-15,17-18,22H,7-11,13H2,(H,25,28)(H,26,27)