4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluoro-benzoic acid CAS Name: 4-[[[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]thio]-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluorobenzoic acid Traditional Name: 4-[[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]thio]carbonylamino]-2-fluoro-benzoic acid Formula: C27H24FNO3S MolecularWeight: 461.547763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)SC(=O)NC4=CC(=C(C=C4)C(=O)O)F)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)SC(=O)NC4=CC(=C(C=C4)C(=O)O)F)(C)C

InChI

InChI=1S/C27H24FNO3S/c1-16-4-6-17(7-5-16)20-12-13-27(2,3)23-11-9-19(15-22(20)23)33-26(32)29-18-8-10-21(25(30)31)24(28)14-18/h4-12,14-15H,13H2,1-3H3,(H,29,32)(H,30,31)