1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-chlorophenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(4-chlorophenyl)butane-1,4-dione Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19ClN2O2S/c22-15-9-7-14(8-10-15)18(25)11-12-20(26)24-13-3-5-17(24)21-23-16-4-1-2-6-19(16)27-21/h1-2,4,6-10,17H,3,5,11-13H2