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

Systemtic Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylate CAS Name: 6-[2-(2,3,3,6,6-pentamethyl-1-cyclohexenyl)ethynyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]-1-benzothiophene-3-carboxylate Traditional Name: 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H28O2S MolecularWeight: 380.54292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O2S/c1-7-26-22(25)19-15-27-21-14-17(8-10-18(19)21)9-11-20-16(2)23(3,4)12-13-24(20,5)6/h8,10,14-15H,7,12-13H2,1-6H3