ethyl 5-azanyl-4-cyano-3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C19H22N2O5S/c1-2-25-19(24)16-14(13(8-20)17(21)27-16)9-26-18(23)12-6-10-4-3-5-11(7-12)15(10)22/h10-12H,2-7,9,21H2,1H3