[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CS3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CS3)C)Cl

InChI

InChI=1S/C19H16ClN3O4S/c1-11-17(20)12(2)23(22-11)14-7-5-13(6-8-14)19(26)27-10-16(24)21-18(25)15-4-3-9-28-15/h3-9H,10H2,1-2H3,(H,21,24,25)