ethyl 5-[[1-(furan-2-yl)ethylamino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[1-(furan-2-yl)ethylamino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[1-(2-furyl)ethylamino]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[[1-(2-furanyl)ethylamino]methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(furan-2-yl)ethylamino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[1-(2-furyl)ethylamino]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CNC(C)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CNC(C)C4=CC=CO4

InChI

InChI=1S/C22H22N4O3S/c1-3-28-21(27)17-12-24-26(19(17)13-23-15(2)20-10-7-11-29-20)22-25-18(14-30-22)16-8-5-4-6-9-16/h4-12,14-15,23H,3,13H2,1-2H3