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

Systemtic Name: ethyl 2-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18N4O5S2/c1-3-27-19(26)18-11(2)21-20(31-18)22-16(25)9-30-17-7-5-13(23-24-17)12-4-6-14-15(8-12)29-10-28-14/h4-8H,3,9-10H2,1-2H3,(H,21,22,25)