methyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O5S/c1-27-21(26)13-2-5-15(6-3-13)22-19(25)11-30-20-9-7-16(23-24-20)14-4-8-17-18(10-14)29-12-28-17/h2-10H,11-12H2,1H3,(H,22,25)