ethyl 3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2-(2-nitrooxyethanoylamino)propanoate

Systemtic Name: ethyl 3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2-(2-nitrooxyethanoylamino)propanoate Openeye Name: ethyl 3-(2,2-dimethyl-1-methylene-propyl)sulfanyl-2-[(2-nitrooxyacetyl)amino]propanoate CAS Name: 3-(3,3-dimethylbut-1-en-2-ylthio)-2-[(2-nitrooxy-1-oxoethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2-[(2-nitrooxyacetyl)amino]propanoate Traditional Name: 3-(1-tert-butylvinylthio)-2-[(2-nitrooxyacetyl)amino]propionic acid ethyl ester Formula: C13H22N2O6S MolecularWeight: 334.38858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=C)C(C)(C)C)NC(=O)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CSC(=C)C(C)(C)C)NC(=O)CO[N+](=O)[O-]

InChI

InChI=1S/C13H22N2O6S/c1-6-20-12(17)10(8-22-9(2)13(3,4)5)14-11(16)7-21-15(18)19/h10H,2,6-8H2,1,3-5H3,(H,14,16)