ethyl 4-fluoranyl-3-[(2,3,4-trimethoxyphenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(2,3,4-trimethoxyphenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[oxo-(2,3,4-trimethoxyphenyl)methoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21FO7S MolecularWeight: 448.461343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FO7S/c1-5-29-22(25)20-13(17-14(23)7-6-8-16(17)31-20)11-30-21(24)12-9-10-15(26-2)19(28-4)18(12)27-3/h6-10H,5,11H2,1-4H3