[(7S)-7,9-dicyano-8-oxidanylidene-10-sulfanylidene-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxy-methanolate

Systemtic Name: [(7S)-7,9-dicyano-8-oxidanylidene-10-sulfanylidene-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxy-methanolate Openeye Name: [(7S)-7,9-dicyano-8-oxo-10-thioxo-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxy-methanolate CAS Name: [(7S)-7,9-dicyano-8-oxo-10-sulfanylidene-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxymethanolate IUPAC Name: [(7S)-7,9-dicyano-8-oxo-10-sulfanylidene-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxymethanolate Traditional Name: [(7S)-7,9-dicyano-8-keto-10-thioxo-9-aza-3-azoniaspiro[5.5]undecan-11-ylidene]-ethoxy-methanolate Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=S)N(C(=O)C(C12CC[NH2+]CC2)C#N)C#N)[O-]

Isomeric SMILES

CCOC(=C1C(=S)N(C(=O)[C@@H](C12CC[NH2+]CC2)C#N)C#N)[O-]

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/h9,17,20H,2-6H2,1H3/t9-/m0/s1