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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-ethylphenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(4-ethylphenyl)butane-1,4-dione Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O2S/c1-2-16-9-11-17(12-10-16)20(26)13-14-22(27)25-15-5-7-19(25)23-24-18-6-3-4-8-21(18)28-23/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3