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O-[2-[(2,6-dinitrophenyl)-(trifluoromethyl)amino]propanoyl-methyl-amino] ethanethioate

O-[2-[(2,6-dinitrophenyl)-(trifluoromethyl)amino]propanoyl-methyl-amino] ethanethioate

Systemtic Name:O-[2-[(2,6-dinitrophenyl)-(trifluoromethyl)amino]propanoyl-methyl-amino] ethanethioate
Openeye Name:O-[2-[2,6-dinitro-N-(trifluoromethyl)anilino]propanoyl-methyl-amino] ethanethioate
CAS Name:ethanethioic acid O-[[2-[2,6-dinitro-N-(trifluoromethyl)anilino]-1-oxopropyl]-methylamino] ester
IUPAC Name:O-[2-[2,6-dinitro-N-(trifluoromethyl)anilino]propanoyl-methylamino] ethanethioate
Traditional Name:ethanethioic acid O-[2-[2,6-dinitro-N-(trifluoromethyl)anilino]propanoyl-methyl-amino] ester
Formula: C13H13F3N4O6S
MolecularWeight: 410.32573
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)OC(=S)C)N(C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F


Isomeric SMILES

CC(C(=O)N(C)OC(=S)C)N(C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F


InChI

InChI=1S/C13H13F3N4O6S/c1-7(12(21)17(3)26-8(2)27)18(13(14,15)16)11-9(19(22)23)5-4-6-10(11)20(24)25/h4-7H,1-3H3


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