[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O3S/c23-21-17(8-4-10-24-21)25-19(28)14-30-22(29)16-13-27(12-15-6-2-1-3-7-15)26-20(16)18-9-5-11-31-18/h1-11,13H,12,14H2,(H,25,28)