ethyl (7S)-7-cyano-8-oxidanylidene-10-(phenylmethylsulfanyl)-9-azaspiro[5.5]undec-10-ene-11-carboxylate

Systemtic Name: ethyl (7S)-7-cyano-8-oxidanylidene-10-(phenylmethylsulfanyl)-9-azaspiro[5.5]undec-10-ene-11-carboxylate Openeye Name: ethyl (7S)-10-benzylsulfanyl-7-cyano-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate CAS Name: (7S)-7-cyano-8-oxo-10-(phenylmethylthio)-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester IUPAC Name: ethyl (7S)-10-benzylsulfanyl-7-cyano-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate Traditional Name: (7S)-10-(benzylthio)-7-cyano-8-keto-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)[C@@H](C12CCCCC2)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-26-20(25)17-19(27-14-15-9-5-3-6-10-15)23-18(24)16(13-22)21(17)11-7-4-8-12-21/h3,5-6,9-10,16H,2,4,7-8,11-12,14H2,1H3,(H,23,24)/t16-/m0/s1