(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C24H25NO4S/c26-20(21-2-1-7-30-21)14-29-22(27)18-3-5-19(6-4-18)25-23(28)24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,15-17H,8-14H2,(H,25,28)