[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C20H17ClFNO3S MolecularWeight: 405.870283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClFNO3S/c1-12(13-5-3-2-4-6-13)10-23-17(24)11-26-20(25)19-18(21)15-8-7-14(22)9-16(15)27-19/h2-9,12H,10-11H2,1H3,(H,23,24)