1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane

Systemtic Name: 1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane Openeye Name: 1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane CAS Name: 1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane IUPAC Name: 1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane Traditional Name: 1-cyclobutyl-4-(4-ethynylphenyl)-5,8-dioxa-3-thiabicyclo[2.2.2]octane Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C23OCC(CO2)(CS3)C4CCC4

Isomeric SMILES

C#CC1=CC=C(C=C1)C23OCC(CO2)(CS3)C4CCC4

InChI

InChI=1S/C17H18O2S/c1-2-13-6-8-15(9-7-13)17-18-10-16(11-19-17,12-20-17)14-4-3-5-14/h1,6-9,14H,3-5,10-12H2