S-ethyl 6-[2-(furan-3-yl)-2-oxidanylidene-ethyl]-5,5-dimethyl-cyclohexene-1-carbothioate

Systemtic Name: S-ethyl 6-[2-(furan-3-yl)-2-oxidanylidene-ethyl]-5,5-dimethyl-cyclohexene-1-carbothioate Openeye Name: S-ethyl 6-[2-(3-furyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohexene-1-carbothioate CAS Name: 6-[2-(3-furanyl)-2-oxoethyl]-5,5-dimethyl-1-cyclohexenecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 6-[2-(furan-3-yl)-2-oxoethyl]-5,5-dimethylcyclohexene-1-carbothioate Traditional Name: 6-[2-(3-furyl)-2-keto-ethyl]-5,5-dimethyl-cyclohexene-1-carbothioic acid S-ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=CCCC(C1CC(=O)C2=COC=C2)(C)C

Isomeric SMILES

CCSC(=O)C1=CCCC(C1CC(=O)C2=COC=C2)(C)C

InChI

InChI=1S/C17H22O3S/c1-4-21-16(19)13-6-5-8-17(2,3)14(13)10-15(18)12-7-9-20-11-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3