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

Systemtic Name: ethyl 4-fluoranyl-3-[[(5-methoxycarbonyl-2-methyl-phenyl)amino]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(5-methoxycarbonyl-2-methyl-anilino)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(5-methoxycarbonyl-2-methylanilino)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(5-methoxycarbonyl-2-methylanilino)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(5-carbomethoxy-2-methyl-anilino)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C21H20FNO4S/c1-4-27-21(25)19-14(18-15(22)6-5-7-17(18)28-19)11-23-16-10-13(20(24)26-3)9-8-12(16)2/h5-10,23H,4,11H2,1-3H3