methyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[[2-keto-2-(piazthiol-4-ylamino)ethyl]amino]benzoic acid methyl ester Formula: C16H13FN4O3S MolecularWeight: 360.362823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC(=O)NC2=CC=CC3=NSN=C32)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC(=O)NC2=CC=CC3=NSN=C32)F

InChI

InChI=1S/C16H13FN4O3S/c1-24-16(23)10-7-9(5-6-11(10)17)18-8-14(22)19-12-3-2-4-13-15(12)21-25-20-13/h2-7,18H,8H2,1H3,(H,19,22)