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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(3,4-dimethoxyphenyl)butane-1,4-dione Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H24N2O4S/c1-28-19-11-9-15(14-20(19)29-2)18(26)10-12-22(27)25-13-5-7-17(25)23-24-16-6-3-4-8-21(16)30-23/h3-4,6,8-9,11,14,17H,5,7,10,12-13H2,1-2H3