1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-13-12-15(14(2)26-13)18(24)9-10-20(25)23-11-5-7-17(23)21-22-16-6-3-4-8-19(16)27-21/h3-4,6,8,12,17H,5,7,9-11H2,1-2H3