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

Systemtic Name: methyl 4-[2-(6-benzamidopyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-benzamidopyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-benzamido-3-pyridazinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-benzamidopyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-benzamidopyridazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S/c1-29-21(28)15-7-9-16(10-8-15)22-18(26)13-30-19-12-11-17(24-25-19)23-20(27)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,26)(H,23,24,27)