[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C29H20ClN3O4S MolecularWeight: 542.0048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O4S/c30-20-13-14-24(22(16-20)28(35)19-8-3-1-4-9-19)31-26(34)18-37-29(36)23-17-33(21-10-5-2-6-11-21)32-27(23)25-12-7-15-38-25/h1-17H,18H2,(H,31,34)