(2R)-4-methylsulfanyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate CAS Name: (2R)-4-(methylthio)-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[2-nitro-4-(trifluoromethyl)anilino]butyrate Formula: C12H12F3N2O4S- MolecularWeight: 337.29489

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O4S/c1-22-5-4-9(11(18)19)16-8-3-2-7(12(13,14)15)6-10(8)17(20)21/h2-3,6,9,16H,4-5H2,1H3,(H,18,19)/p-1/t9-/m1/s1