(phenylmethyl) 2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]acetic acid benzyl ester Formula: C18H15F3N2O5S MolecularWeight: 428.38231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5S/c19-18(20,21)13-6-7-15(14(8-13)23(26)27)29-11-16(24)22-9-17(25)28-10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,22,24)