ethyl (7S)-7,9-dicyano-8-oxidanylidene-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylate

Systemtic Name: ethyl (7S)-7,9-dicyano-8-oxidanylidene-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylate Openeye Name: ethyl (7S)-7,9-dicyano-8-oxo-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylate CAS Name: (7S)-7,9-dicyano-10-mercapto-8-oxo-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester IUPAC Name: ethyl (7S)-7,9-dicyano-8-oxo-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylate Traditional Name: (7S)-7,9-dicyano-8-keto-10-mercapto-9-aza-3-azoniaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester Formula: C14H17N4O3S+ MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C(C12CC[NH2+]CC2)C#N)C#N)S

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)[C@@H](C12CC[NH2+]CC2)C#N)C#N)S

InChI

InChI=1S/C14H16N4O3S/c1-2-21-13(20)10-12(22)18(8-16)11(19)9(7-15)14(10)3-5-17-6-4-14/h9,17,22H,2-6H2,1H3/p+1/t9-/m0/s1