methyl 5-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[[2-(2-thiazolin-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C13H13FN2O3S2 MolecularWeight: 328.382323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NCCS2)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NCCS2)F

InChI

InChI=1S/C13H13FN2O3S2/c1-19-12(18)9-6-8(2-3-10(9)14)16-11(17)7-21-13-15-4-5-20-13/h2-3,6H,4-5,7H2,1H3,(H,16,17)