methyl 3-[[1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

InChI

InChI=1S/C19H21N5O4S/c1-4-28-17-8-7-16(22-23-17)24-12(2)13(11-20-24)19(26)21-14(10-18(25)27-3)15-6-5-9-29-15/h5-9,11,14H,4,10H2,1-3H3,(H,21,26)