[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C21H18FNO4S/c1-3-18(25)23-14-9-7-13(8-10-14)16(24)11-27-21(26)20-12(2)19-15(22)5-4-6-17(19)28-20/h4-10H,3,11H2,1-2H3,(H,23,25)