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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)OC

InChI

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