[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C20H18FNO6S MolecularWeight: 419.423423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C20H18FNO6S/c1-25-14-7-11(8-15(26-2)19(14)27-3)22-18(23)10-28-20(24)17-9-12-13(21)5-4-6-16(12)29-17/h4-9H,10H2,1-3H3,(H,22,23)