(3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@@H]3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

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