[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C21H16ClFN2O4S MolecularWeight: 446.879143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H16ClFN2O4S/c22-19-15-7-6-12(23)9-16(15)30-20(19)21(28)29-11-17(26)24-13-3-1-4-14(10-13)25-8-2-5-18(25)27/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,24,26)