S-butyl 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioate

Systemtic Name: S-butyl 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioate Openeye Name: S-butyl 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioate CAS Name: 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioic acid S-butyl ester IUPAC Name: S-butyl 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioate Traditional Name: 2-(7-oxabicyclo[2.2.1]hept-2-en-5-yl)ethanethioic acid S-butyl ester Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)CC1CC2C=CC1O2

Isomeric SMILES

CCCCSC(=O)CC1CC2C=CC1O2

InChI

InChI=1S/C12H18O2S/c1-2-3-6-15-12(13)8-9-7-10-4-5-11(9)14-10/h4-5,9-11H,2-3,6-8H2,1H3