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

Systemtic Name: ethyl 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluoro-benzoate CAS Name: 4-[[[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]thio]-oxomethyl]amino]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]-2-fluorobenzoate Traditional Name: 4-[[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]thio]carbonylamino]-2-fluoro-benzoic acid ethyl ester Formula: C29H28FNO3S MolecularWeight: 489.600923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)SC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)SC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)C)(C)C)F

InChI

InChI=1S/C29H28FNO3S/c1-5-34-27(32)23-12-10-20(16-26(23)30)31-28(33)35-21-11-13-25-24(17-21)22(14-15-29(25,3)4)19-8-6-18(2)7-9-19/h6-14,16-17H,5,15H2,1-4H3,(H,31,33)