S-tert-butyl 2-[(1S)-3-oxidanylidenecyclohexyl]ethanethioate

Systemtic Name: S-tert-butyl 2-[(1S)-3-oxidanylidenecyclohexyl]ethanethioate Openeye Name: S-tert-butyl 2-[(1S)-3-oxocyclohexyl]ethanethioate CAS Name: 2-[(1S)-3-oxocyclohexyl]ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[(1S)-3-oxocyclohexyl]ethanethioate Traditional Name: 2-[(1S)-3-ketocyclohexyl]ethanethioic acid S-tert-butyl ester Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1CCCC(=O)C1

Isomeric SMILES

CC(C)(C)SC(=O)C[C@H]1CCCC(=O)C1

InChI

InChI=1S/C12H20O2S/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h9H,4-8H2,1-3H3/t9-/m0/s1