[4-(thiophen-2-ylcarbonylamino)phenyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O3S/c1-15-20(21(24)27(26-15)14-16-6-3-2-4-7-16)23(29)30-18-11-9-17(10-12-18)25-22(28)19-8-5-13-31-19/h2-13H,14H2,1H3,(H,25,28)