(2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-19(23-8-10-27-11-9-23)15-28-21(26)17-14-24(13-16-5-2-1-3-6-16)22-20(17)18-7-4-12-29-18/h1-7,12,14H,8-11,13,15H2