[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H20FNO5S/c1-3-27-16-9-5-4-8-15(16)23-18(24)12-28-21(25)20-13(11-26-2)19-14(22)7-6-10-17(19)29-20/h4-10H,3,11-12H2,1-2H3,(H,23,24)