methyl 4-[2-[6-(furan-2-ylcarbonylamino)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(furan-2-ylcarbonylamino)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(furan-2-carbonylamino)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-[[2-furanyl(oxo)methyl]amino]-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(furan-2-carbonylamino)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2-furoylamino)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H16N4O5S/c1-27-19(26)12-4-6-13(7-5-12)20-16(24)11-29-17-9-8-15(22-23-17)21-18(25)14-3-2-10-28-14/h2-10H,11H2,1H3,(H,20,24)(H,21,22,25)