methyl 3-[2-(4-fluorophenyl)ethynyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-fluorophenyl)ethynyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-(4-fluorophenyl)ethynyl]benzothiophene-2-carboxylate CAS Name: 3-[2-(4-fluorophenyl)ethynyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-fluorophenyl)ethynyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(4-fluorophenyl)ethynyl]benzothiophene-2-carboxylic acid methyl ester Formula: C18H11FO2S MolecularWeight: 310.342143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)C#CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)C#CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H11FO2S/c1-21-18(20)17-15(14-4-2-3-5-16(14)22-17)11-8-12-6-9-13(19)10-7-12/h2-7,9-10H,1H3