(4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H18FNO3S MolecularWeight: 383.435923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H18FNO3S/c22-17-7-8-18-16(11-17)12-19(27-18)21(25)26-13-14-3-5-15(6-4-14)20(24)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2