ethyl 7-cyano-8-oxidanylidene-10-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-9-azaspiro[5.5]undec-10-ene-11-carboxylate

Systemtic Name: ethyl 7-cyano-8-oxidanylidene-10-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-9-azaspiro[5.5]undec-10-ene-11-carboxylate Openeye Name: ethyl 10-(2-anilino-2-oxo-ethyl)sulfanyl-7-cyano-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate CAS Name: 10-[(2-anilino-2-oxoethyl)thio]-7-cyano-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester IUPAC Name: ethyl 10-(2-anilino-2-oxoethyl)sulfanyl-7-cyano-8-oxo-9-azaspiro[5.5]undec-10-ene-11-carboxylate Traditional Name: 10-[(2-anilino-2-keto-ethyl)thio]-7-cyano-8-keto-9-azaspiro[5.5]undec-10-ene-11-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C(C12CCCCC2)C#N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-2-29-21(28)18-20(30-14-17(26)24-15-9-5-3-6-10-15)25-19(27)16(13-23)22(18)11-7-4-8-12-22/h3,5-6,9-10,16H,2,4,7-8,11-12,14H2,1H3,(H,24,26)(H,25,27)