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

Systemtic Name: propan-2-yl 2-[(8-azanyl-7,11-dicyano-9-azaspiro[5.5]undeca-7,10-dien-10-yl)sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C2(CCCCC2)C(=C(N1)N)C#N)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C2(CCCCC2)C(=C(N1)N)C#N)C#N

InChI

InChI=1S/C17H22N4O2S/c1-11(2)23-14(22)10-24-16-13(9-19)17(6-4-3-5-7-17)12(8-18)15(20)21-16/h11,21H,3-7,10,20H2,1-2H3