[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H18FNO3S MolecularWeight: 371.425223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO3S/c21-16-9-4-10-17-15(16)12-18(26-17)20(24)25-13-19(23)22-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13H2,(H,22,23)