tert-butyl 5-(cyanomethyl)thiolane-2-carboxylate

Systemtic Name: tert-butyl 5-(cyanomethyl)thiolane-2-carboxylate Openeye Name: tert-butyl 5-(cyanomethyl)tetrahydrothiophene-2-carboxylate CAS Name: 5-(cyanomethyl)-2-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(cyanomethyl)thiolane-2-carboxylate Traditional Name: 5-(cyanomethyl)tetrahydrothiophene-2-carboxylic acid tert-butyl ester Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(S1)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(S1)CC#N

InChI

InChI=1S/C11H17NO2S/c1-11(2,3)14-10(13)9-5-4-8(15-9)6-7-12/h8-9H,4-6H2,1-3H3