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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C24H19N3O4S MolecularWeight: 445.49036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S/c28-21(25-23(29)18-10-5-2-6-11-18)16-31-24(30)19-15-27(14-17-8-3-1-4-9-17)26-22(19)20-12-7-13-32-20/h1-13,15H,14,16H2,(H,25,28,29)