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

Systemtic Name: ethyl 4-[2-(6-acetamidopyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-acetamidopyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-acetamido-3-pyridazinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-acetamidopyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-acetamidopyridazin-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-3-25-17(24)12-4-6-13(7-5-12)19-15(23)10-26-16-9-8-14(20-21-16)18-11(2)22/h4-9H,3,10H2,1-2H3,(H,19,23)(H,18,20,22)