S-tert-butyl 2-cyano-2-(3-oxidanylidenecyclohexyl)ethanethioate

Systemtic Name: S-tert-butyl 2-cyano-2-(3-oxidanylidenecyclohexyl)ethanethioate Openeye Name: S-tert-butyl 2-cyano-2-(3-oxocyclohexyl)ethanethioate CAS Name: 2-cyano-2-(3-oxocyclohexyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-cyano-2-(3-oxocyclohexyl)ethanethioate Traditional Name: 2-cyano-2-(3-ketocyclohexyl)ethanethioic acid S-tert-butyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C#N)C1CCCC(=O)C1

Isomeric SMILES

CC(C)(C)SC(=O)C(C#N)C1CCCC(=O)C1

InChI

InChI=1S/C13H19NO2S/c1-13(2,3)17-12(16)11(8-14)9-5-4-6-10(15)7-9/h9,11H,4-7H2,1-3H3