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

Systemtic Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylate CAS Name: 6-[2-(6,6-dimethyl-1-cyclohexenyl)ethynyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Traditional Name: 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=CCCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=CCCCC3(C)C

InChI

InChI=1S/C21H22O2S/c1-4-23-20(22)18-14-24-19-13-15(9-11-17(18)19)8-10-16-7-5-6-12-21(16,2)3/h7,9,11,13-14H,4-6,12H2,1-3H3