methyl 3-[[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]-4-fluorobenzoate Traditional Name: 3-[[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C24H27FN2O4S MolecularWeight: 458.545583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C24H27FN2O4S/c1-31-24(30)17-11-12-19(25)20(13-17)27-23(29)18-9-5-6-10-21(18)32-15-22(28)26-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,26,28)(H,27,29)