ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylate CAS Name: 6-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethynyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Traditional Name: 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=C(CCCC3(C)C)C

Isomeric SMILES

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=C(CCCC3(C)C)C

InChI

InChI=1S/C22H24O2S/c1-5-24-21(23)18-14-25-20-13-16(8-10-17(18)20)9-11-19-15(2)7-6-12-22(19,3)4/h8,10,13-14H,5-7,12H2,1-4H3