2-[[1,1,1-tris(fluoranyl)-3-[(S)-(4-methylphenyl)sulfinyl]propan-2-ylidene]amino]benzoic acid

Systemtic Name: 2-[[1,1,1-tris(fluoranyl)-3-[(S)-(4-methylphenyl)sulfinyl]propan-2-ylidene]amino]benzoic acid Openeye Name: 2-[[2,2,2-trifluoro-1-[[(S)-p-tolylsulfinyl]methyl]ethylidene]amino]benzoic acid CAS Name: 2-[[1,1,1-trifluoro-3-[(S)-(4-methylphenyl)sulfinyl]propan-2-ylidene]amino]benzoic acid IUPAC Name: 2-[[1,1,1-trifluoro-3-[(S)-(4-methylphenyl)sulfinyl]propan-2-ylidene]amino]benzoic acid Traditional Name: 2-[[2,2,2-trifluoro-1-[[(S)-p-tolylsulfinyl]methyl]ethylidene]amino]benzoic acid Formula: C17H14F3NO3S MolecularWeight: 369.35817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(=NC2=CC=CC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[S@@](=O)CC(=NC2=CC=CC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3S/c1-11-6-8-12(9-7-11)25(24)10-15(17(18,19)20)21-14-5-3-2-4-13(14)16(22)23/h2-9H,10H2,1H3,(H,22,23)/t25-/m0/s1