methyl 3-(4-nitrophenyl)-2-[[2-(trifluoromethyl)phenyl]carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-nitrophenyl)-2-[[2-(trifluoromethyl)phenyl]carbothioylamino]propanoate Openeye Name: methyl 3-(4-nitrophenyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate CAS Name: 3-(4-nitrophenyl)-2-[[sulfanylidene-[2-(trifluoromethyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-nitrophenyl)-2-[[2-(trifluoromethyl)benzenecarbothioyl]amino]propanoate Traditional Name: 3-(4-nitrophenyl)-2-[[2-(trifluoromethyl)thiobenzoyl]amino]propionic acid methyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c1-27-17(24)15(10-11-6-8-12(9-7-11)23(25)26)22-16(28)13-4-2-3-5-14(13)18(19,20)21/h2-9,15H,10H2,1H3,(H,22,28)