ethyl 2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C)C

InChI

InChI=1S/C21H25N5O3S2/c1-6-15-14(5)31-20(19(15)21(28)29-7-2)22-17(27)11-30-18-9-8-16(23-24-18)26-13(4)10-12(3)25-26/h8-10H,6-7,11H2,1-5H3,(H,22,27)