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

Systemtic Name: methyl 4-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-p-phenetylpyridazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-3-29-18-10-6-15(7-11-18)19-12-13-21(25-24-19)30-14-20(26)23-17-8-4-16(5-9-17)22(27)28-2/h4-13H,3,14H2,1-2H3,(H,23,26)