[4-(thiophen-2-ylcarbonylamino)phenyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21NO4S/c23-19-13-3-1-4-14(19)12-15(11-13)21(25)26-17-8-6-16(7-9-17)22-20(24)18-5-2-10-27-18/h2,5-10,13-15H,1,3-4,11-12H2,(H,22,24)