1-cyclopentyl-4-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperazin-2-one

Systemtic Name: 1-cyclopentyl-4-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperazin-2-one Openeye Name: 1-cyclopentyl-4-[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]piperazin-2-one CAS Name: 1-cyclopentyl-4-[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]-2-piperazinone IUPAC Name: 1-cyclopentyl-4-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one Traditional Name: 1-cyclopentyl-4-[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]piperazin-2-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C21H25N3O4S/c1-29-19-9-5-4-8-18(19)27-14-16-12-17(22-28-16)21(26)23-10-11-24(20(25)13-23)15-6-2-3-7-15/h4-5,8-9,12,15H,2-3,6-7,10-11,13-14H2,1H3