methyl 2-[(9-cyano-8-oxidanylidene-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(9-cyano-8-oxidanylidene-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(9-cyano-8-oxo-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)sulfanyl]acetate CAS Name: 2-[(9-cyano-8-oxo-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(9-cyano-8-oxo-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)sulfanyl]acetate Traditional Name: 2-[(9-cyano-8-keto-11-thia-7-azaspiro[5.5]undec-9-en-10-yl)thio]acetic acid methyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=O)NC2(S1)CCCCC2)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=O)NC2(S1)CCCCC2)C#N

InChI

InChI=1S/C13H16N2O3S2/c1-18-10(16)8-19-12-9(7-14)11(17)15-13(20-12)5-3-2-4-6-13/h2-6,8H2,1H3,(H,15,17)