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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S2/c1-13-8-10-18(25-13)16(23)9-11-19(24)22-12-4-6-15(22)20-21-14-5-2-3-7-17(14)26-20/h2-3,5,7-8,10,15H,4,6,9,11-12H2,1H3