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

Systemtic Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylate CAS Name: 6-[2-(3,3,6,6-tetramethyl-1-cyclohexenyl)ethynyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Traditional Name: 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=CC(CCC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC3=CC(CCC3(C)C)(C)C

InChI

InChI=1S/C23H26O2S/c1-6-25-21(24)19-15-26-20-13-16(8-10-18(19)20)7-9-17-14-22(2,3)11-12-23(17,4)5/h8,10,13-15H,6,11-12H2,1-5H3