2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-thiophen-2-ylethyl (E)-2-cyano-3-ethoxycarbonyloxy-prop-2-enoate

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-thiophen-2-ylethyl (E)-2-cyano-3-ethoxycarbonyloxy-prop-2-enoate Openeye Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-(2-thienyl)ethyl (E)-2-cyano-3-ethoxycarbonyloxy-prop-2-enoate CAS Name: (E)-2-cyano-3-ethoxycarbonyloxy-2-propenoic acid 2-thiophen-2-ylethyl ester; 2,2-dimethyl-3-oxaziridin-2-iumone IUPAC Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-thiophen-2-ylethyl (E)-2-cyano-3-ethoxycarbonyloxyprop-2-enoate Traditional Name: (E)-3-carbethoxyoxy-2-cyano-acrylic acid 2-(2-thienyl)ethyl ester; 2,2-dimethyloxaziridin-2-ium-3-one Formula: C16H19N2O7S+ MolecularWeight: 383.39626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC=C(C#N)C(=O)OCCC1=CC=CS1.C[N+]1(C(=O)O1)C

Isomeric SMILES

CCOC(=O)O/C=C(\C#N)/C(=O)OCCC1=CC=CS1.C[N+]1(C(=O)O1)C

InChI

InChI=1S/C13H13NO5S.C3H6NO2/c1-2-17-13(16)19-9-10(8-14)12(15)18-6-5-11-4-3-7-20-11;1-4(2)3(5)6-4/h3-4,7,9H,2,5-6H2,1H3;1-2H3/q;+1/b10-9+;