ethyl 2-[3-(oxolan-2-ylmethylcarbamoyl)-5-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(oxolan-2-ylmethylcarbamoyl)-5-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[5-phenyl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-[oxo-(2-oxolanylmethylamino)methyl]-5-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(oxolan-2-ylmethylcarbamoyl)-5-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-phenyl-3-(tetrahydrofurfurylcarbamoyl)pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)NCC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S/c1-2-28-20(27)17-13-30-21(23-17)25-18(14-7-4-3-5-8-14)11-16(24-25)19(26)22-12-15-9-6-10-29-15/h3-5,7-8,11,13,15H,2,6,9-10,12H2,1H3,(H,22,26)