[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H20FNO3S MolecularWeight: 385.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H20FNO3S/c1-14(10-11-15-6-3-2-4-7-15)23-20(24)13-26-21(25)19-12-16-17(22)8-5-9-18(16)27-19/h2-9,12,14H,10-11,13H2,1H3,(H,23,24)/t14-/m0/s1