(E)-4-[[2-methylsulfanyl-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-methylsulfanyl-3-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-methylsulfanyl-3-(trifluoromethyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(methylthio)-3-(trifluoromethyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-methylsulfanyl-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-(methylthio)-3-(trifluoromethyl)anilino]but-2-enoic acid Formula: C12H10F3NO3S MolecularWeight: 305.27291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=C1NC(=O)C=CC(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=C(C=CC=C1NC(=O)/C=C/C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H10F3NO3S/c1-20-11-7(12(13,14)15)3-2-4-8(11)16-9(17)5-6-10(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/b6-5+