[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-isobutyl-2-thienyl)amino]-2-oxo-ethyl] 2-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 2-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrazol-1-ylnicotinic acid [2-[(3-carbethoxy-4-isobutyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(N=CC=C2)N3C=CC=N3

InChI

InChI=1S/C22H24N4O5S/c1-4-30-22(29)18-15(11-14(2)3)13-32-20(18)25-17(27)12-31-21(28)16-7-5-8-23-19(16)26-10-6-9-24-26/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,27)