ethyl 4-fluoranyl-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[methyl(o-tolylmethyl)amino]methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[methyl-(2-methylbenzyl)amino]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H22FNO2S MolecularWeight: 371.468283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN(C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN(C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H22FNO2S/c1-4-25-21(24)20-16(19-17(22)10-7-11-18(19)26-20)13-23(3)12-15-9-6-5-8-14(15)2/h5-11H,4,12-13H2,1-3H3