ethyl 7,11-dicyano-8-oxidanyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylate

Systemtic Name: ethyl 7,11-dicyano-8-oxidanyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylate Openeye Name: ethyl 7,11-dicyano-8-hydroxy-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylate CAS Name: 7,11-dicyano-8-hydroxy-10-mercapto-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7,11-dicyano-8-hydroxy-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylate Traditional Name: 7,11-dicyano-8-hydroxy-10-mercapto-3,9-diazaspiro[5.5]undeca-7,10-diene-3-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2(CC1)C(=C(NC(=C2C#N)S)O)C#N

Isomeric SMILES

CCOC(=O)N1CCC2(CC1)C(=C(NC(=C2C#N)S)O)C#N

InChI

InChI=1S/C14H16N4O3S/c1-2-21-13(20)18-5-3-14(4-6-18)9(7-15)11(19)17-12(22)10(14)8-16/h17,19,22H,2-6H2,1H3