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

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(4-phenylphenyl)butane-1,4-dione IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(4-phenylphenyl)butane-1,4-dione Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N2O2S/c30-24(21-14-12-20(13-15-21)19-7-2-1-3-8-19)16-17-26(31)29-18-6-10-23(29)27-28-22-9-4-5-11-25(22)32-27/h1-5,7-9,11-15,23H,6,10,16-18H2/t23-/m0/s1