ethyl 2-[(8-azanyl-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(8-azanyl-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(8-amino-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]acetate CAS Name: 2-[(8-amino-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(8-amino-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]acetate Traditional Name: 2-[(8-amino-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)thio]acetic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2(CCCCC2)C(=C(N1)N)C#N)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C2(CCCCC2)C(=C(N1)N)C#N)C#N

InChI

InChI=1S/C16H20N4O2S/c1-2-22-13(21)10-23-15-12(9-18)16(6-4-3-5-7-16)11(8-17)14(19)20-15/h20H,2-7,10,19H2,1H3