[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C22H18FNO3S MolecularWeight: 395.446623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C22H18FNO3S/c23-18-6-7-19-17(12-18)13-20(28-19)22(26)27-14-21(25)24-10-8-16(9-11-24)15-4-2-1-3-5-15/h1-8,12-13H,9-11,14H2