[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C21H20FNO4S/c1-4-26-16-10-6-5-9-15(16)23-20(24)13(3)27-21(25)19-12(2)18-14(22)8-7-11-17(18)28-19/h5-11,13H,4H2,1-3H3,(H,23,24)/t13-/m0/s1