ethyl 3-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4,5-dimethoxy-2-methoxycarbonyl-anilino)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4,5-dimethoxy-2-methoxycarbonylanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dimethoxy-2-methoxycarbonylanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-carbomethoxy-4,5-dimethoxy-anilino)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C22H22FNO6S/c1-5-30-22(26)20-13(19-14(23)7-6-8-18(19)31-20)11-24-15-10-17(28-3)16(27-2)9-12(15)21(25)29-4/h6-10,24H,5,11H2,1-4H3