ethyl 4-[[2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-[4-(benzofuran-2-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-[4-(2-benzofuranyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-[4-(benzofuran-2-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]amino]-4-keto-butyric acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=NC(=CS2)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=NC(=CS2)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H20N4O4S/c1-3-28-20(27)9-8-19(26)23-18-10-13(2)24-25(18)21-22-15(12-30-21)17-11-14-6-4-5-7-16(14)29-17/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,26)