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

Systemtic Name: 4-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperazin-2-one Openeye Name: 4-[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]piperazin-2-one CAS Name: 4-[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one Traditional Name: 4-[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]piperazin-2-one Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H17N3O4S/c1-24-14-5-3-2-4-13(14)22-10-11-8-12(18-23-11)16(21)19-7-6-17-15(20)9-19/h2-5,8H,6-7,9-10H2,1H3,(H,17,20)