4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid 4-phthalimidobutyl ester Formula: C21H15ClFNO4S MolecularWeight: 431.864503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFNO4S/c22-17-15-8-7-12(23)11-16(15)29-18(17)21(27)28-10-4-3-9-24-19(25)13-5-1-2-6-14(13)20(24)26/h1-2,5-8,11H,3-4,9-10H2