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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C20H18FNO3S MolecularWeight: 371.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F)C3=CC=CC=C3

InChI

InChI=1S/C20H18FNO3S/c1-13(14-6-3-2-4-7-14)11-22-19(23)12-25-20(24)18-10-15-16(21)8-5-9-17(15)26-18/h2-10,13H,11-12H2,1H3,(H,22,23)/t13-/m1/s1