2,2-bis(methylsulfanyl)-1,2-oxaziridin-2-ium-3-one; ethyl 2-methylbenzoate

Systemtic Name: 2,2-bis(methylsulfanyl)-1,2-oxaziridin-2-ium-3-one; ethyl 2-methylbenzoate Openeye Name: 2,2-bis(methylsulfanyl)oxaziridin-2-ium-3-one; ethyl 2-methylbenzoate CAS Name: 2,2-bis(methylthio)-3-oxaziridin-2-iumone; 2-methylbenzoic acid ethyl ester IUPAC Name: 2,2-bis(methylsulfanyl)oxaziridin-2-ium-3-one; ethyl 2-methylbenzoate Traditional Name: 2,2-bis(methylthio)oxaziridin-2-ium-3-one; 2-methylbenzoic acid ethyl ester Formula: C13H18NO4S2+ MolecularWeight: 316.41632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C.CS[N+]1(C(=O)O1)SC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C.CS[N+]1(C(=O)O1)SC

InChI

InChI=1S/C10H12O2.C3H6NO2S2/c1-3-12-10(11)9-7-5-4-6-8(9)2;1-7-4(8-2)3(5)6-4/h4-7H,3H2,1-2H3;1-2H3/q;+1