(3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-N-(2-methyl-1,3-benzothiazol-6-yl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@@H]3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14-22-18-8-7-17(12-19(18)27-14)23-21(26)16-11-20(25)24(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)/t16-/m1/s1