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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-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-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-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-(p-anisylamino)ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)O[C@@H](C)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20FNO4S/c1-12-18-16(22)5-4-6-17(18)28-19(12)21(25)27-13(2)20(24)23-11-14-7-9-15(26-3)10-8-14/h4-10,13H,11H2,1-3H3,(H,23,24)/t13-/m0/s1