ethyl 2-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O5S/c1-2-28-22(27)15-5-3-4-6-17(15)23-20(26)12-31-21-10-8-16(24-25-21)14-7-9-18-19(11-14)30-13-29-18/h3-11H,2,12-13H2,1H3,(H,23,26)