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

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3,5-dimethylphenyl)methanone Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H20N2OS/c1-13-10-14(2)12-15(11-13)20(23)22-9-5-7-17(22)19-21-16-6-3-4-8-18(16)24-19/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3/t17-/m0/s1