(3R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-(1,3-benzothiazol-2-ylmethyl)-5-keto-N-methyl-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)[C@@H]3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H21N3O2S2/c1-23(13-19-22-17-8-3-4-9-18(17)28-19)21(26)14-10-20(25)24(12-14)15-6-5-7-16(11-15)27-2/h3-9,11,14H,10,12-13H2,1-2H3/t14-/m1/s1