4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethoxy]benzonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)COC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O2S/c21-12-14-7-9-15(10-8-14)25-13-19(24)23-11-3-5-17(23)20-22-16-4-1-2-6-18(16)26-20/h1-2,4,6-10,17H,3,5,11,13H2/t17-/m1/s1