2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17ClN4OS/c21-14-8-7-13(11-22)16(10-14)23-19(26)12-25-9-3-5-17(25)20-24-15-4-1-2-6-18(15)27-20/h1-2,4,6-8,10,17H,3,5,9,12H2,(H,23,26)/t17-/m1/s1