3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile CAS Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile Traditional Name: 3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3OS/c20-12-13-5-3-6-14(11-13)19(23)22-10-4-8-16(22)18-21-15-7-1-2-9-17(15)24-18/h1-3,5-7,9,11,16H,4,8,10H2/t16-/m0/s1