[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S/c19-13-5-3-12(4-6-13)15-10-16(22-21-15)18(24)25-11-17(23)20-8-7-14-2-1-9-26-14/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,22)