[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-[(2S)-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N3O2S2/c25-20(16-8-4-12-24(16)21(26)18-10-5-13-27-18)23-11-3-7-15(23)19-22-14-6-1-2-9-17(14)28-19/h1-2,5-6,9-10,13,15-16H,3-4,7-8,11-12H2/t15?,16-/m0/s1