2-methyl-2-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-methyl-2-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-methyl-2-(3-oxo-3-thiomorpholino-propyl)oxaziridin-2-ium-3-one CAS Name: 2-methyl-2-(3-oxo-3-thiomorpholin-4-ylpropyl)-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-methyl-2-(3-oxo-3-thiomorpholin-4-ylpropyl)oxaziridin-2-ium-3-one Traditional Name: 2-(3-keto-3-thiomorpholino-propyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C25H31N2O5S+ MolecularWeight: 471.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCC(=O)N2CCSCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(C(=O)O1)CCC(=O)N2CCSCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C9H15N2O3S/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-11(9(13)14-11)5-2-8(12)10-3-6-15-7-4-10/h1-10H,11-13H2;2-7H2,1H3/q;+1