methyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-2-fluoro-benzoate CAS Name: 5-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C23H17FN2O4S MolecularWeight: 436.455483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)F

InChI

InChI=1S/C23H17FN2O4S/c1-29-22(28)17-12-15(10-11-18(17)24)25-21(27)16-7-3-2-6-14(16)13-31-23-26-19-8-4-5-9-20(19)30-23/h2-12H,13H2,1H3,(H,25,27)