2-methoxy-5-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]methyl]benzoic acid Formula: C18H15F3N2O6S MolecularWeight: 444.38171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H15F3N2O6S/c1-29-14-4-2-10(6-12(14)17(25)26)8-22-16(24)9-30-15-5-3-11(18(19,20)21)7-13(15)23(27)28/h2-7H,8-9H2,1H3,(H,22,24)(H,25,26)