ethyl 7-cyano-10-methylsulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-11-carboxylate

Systemtic Name: ethyl 7-cyano-10-methylsulfanyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-11-carboxylate Openeye Name: ethyl 7-cyano-10-methylsulfanyl-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate CAS Name: 7-cyano-10-(methylthio)-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester IUPAC Name: ethyl 7-cyano-10-methylsulfanyl-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate Traditional Name: 7-cyano-8-keto-10-(methylthio)-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SC

InChI

InChI=1S/C15H20N2O3S/c1-3-20-14(19)11-13(21-2)17-12(18)10(9-16)15(11)7-5-4-6-8-15/h10H,3-8H2,1-2H3,(H,17,18)