ethyl 4-fluoranyl-3-[(4-methoxycarbonylphenoxy)methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methoxycarbonylphenoxy)methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methoxycarbonylphenoxy)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(4-methoxycarbonylphenoxy)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methoxycarbonylphenoxy)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-carbomethoxyphenoxy)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H17FO5S MolecularWeight: 388.409383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H17FO5S/c1-3-25-20(23)18-14(17-15(21)5-4-6-16(17)27-18)11-26-13-9-7-12(8-10-13)19(22)24-2/h4-10H,3,11H2,1-2H3