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

Systemtic Name: ethyl 4-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-3-29-19-11-7-16(8-12-19)20-13-14-22(26-25-20)31-15-21(27)24-18-9-5-17(6-10-18)23(28)30-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)