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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(phenylmethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-benzylpyrrolidino]propan-1-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS/c24-21(13-12-20-22-18-10-4-5-11-19(18)25-20)23-14-6-9-17(23)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m0/s1