(2S)-1-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]pyrrolidine-2-carboxamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC[C@H]3C(=O)N

InChI

InChI=1S/C17H19N3O4S/c1-25-15-7-3-2-6-14(15)23-10-11-9-12(19-24-11)17(22)20-8-4-5-13(20)16(18)21/h2-3,6-7,9,13H,4-5,8,10H2,1H3,(H2,18,21)/t13-/m0/s1