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

Systemtic Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-2-pyrrolidone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)N3CCCC3=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)N3CCCC3=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O2S/c26-20-11-5-12-24(20)16-7-3-6-15(14-16)22(27)25-13-4-9-18(25)21-23-17-8-1-2-10-19(17)28-21/h1-3,6-8,10,14,18H,4-5,9,11-13H2/t18-/m0/s1