methyl 4-[2-[6-[(2-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-[(2-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-[[(2-fluorophenyl)-oxomethyl]amino]-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H17FN4O4S/c1-30-21(29)13-6-8-14(9-7-13)23-18(27)12-31-19-11-10-17(25-26-19)24-20(28)15-4-2-3-5-16(15)22/h2-11H,12H2,1H3,(H,23,27)(H,24,25,28)