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

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClNO3S/c1-13(14-7-3-2-4-8-14)11-22-17(23)12-25-20(24)19-18(21)15-9-5-6-10-16(15)26-19/h2-10,13H,11-12H2,1H3,(H,22,23)