(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClFNO3S/c22-18-16-8-7-15(23)11-17(16)28-19(18)21(26)27-12-13-3-5-14(6-4-13)20(25)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2