ethyl 5-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C21H23NO4S/c1-2-26-21(25)18-11-14-10-16(6-7-17(14)27-18)22-20(24)15-8-12-4-3-5-13(9-15)19(12)23/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,22,24)