(2-benzamido-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C23H17N3O4S MolecularWeight: 431.46378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H17N3O4S/c27-21(24-22(28)16-8-3-1-4-9-16)15-30-23(29)19-14-18(20-12-7-13-31-20)25-26(19)17-10-5-2-6-11-17/h1-14H,15H2,(H,24,27,28)