[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-phenethyl-1,2-oxazol-5-yl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-phenethyl-1,2-oxazol-5-yl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-phenethylisoxazol-5-yl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-phenethyl-5-isoxazolyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-phenethyl-1,2-oxazol-5-yl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-phenethylisoxazol-5-yl)methanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=NO2)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=NO2)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O2S/c27-23(20-15-17(25-28-20)13-12-16-7-2-1-3-8-16)26-14-6-10-19(26)22-24-18-9-4-5-11-21(18)29-22/h1-5,7-9,11,15,19H,6,10,12-14H2/t19-/m0/s1