methyl 4-(2-cyclohexylethynyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-(2-cyclohexylethynyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(2-cyclohexylethynyl)benzothiophene-2-carboxylate CAS Name: 4-(2-cyclohexylethynyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-cyclohexylethynyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-(2-cyclohexylethynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3CCCCC3

InChI

InChI=1S/C18H18O2S/c1-20-18(19)17-12-15-14(8-5-9-16(15)21-17)11-10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7H2,1H3