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

Systemtic Name: (3R)-3-ethyl-4-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperazin-2-one Openeye Name: (3R)-3-ethyl-4-[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]piperazin-2-one CAS Name: (3R)-3-ethyl-4-[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]-2-piperazinone IUPAC Name: (3R)-3-ethyl-4-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one Traditional Name: (3R)-3-ethyl-4-[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]piperazin-2-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

Isomeric SMILES

CC[C@@H]1C(=O)NCCN1C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

InChI

InChI=1S/C18H21N3O4S/c1-3-14-17(22)19-8-9-21(14)18(23)13-10-12(25-20-13)11-24-15-6-4-5-7-16(15)26-2/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,19,22)/t14-/m1/s1