ethyl 5-methyl-1-[3-(3-thiophen-2-ylpropanoylamino)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-(3-thiophen-2-ylpropanoylamino)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[3-(2-thienyl)propanoylamino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[(1-oxo-3-thiophen-2-ylpropyl)amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-(3-thiophen-2-ylpropanoylamino)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[3-(2-thienyl)propanoylamino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=CS3)C

InChI

InChI=1S/C20H21N3O3S/c1-3-26-20(25)18-13-21-23(14(18)2)16-7-4-6-15(12-16)22-19(24)10-9-17-8-5-11-27-17/h4-8,11-13H,3,9-10H2,1-2H3,(H,22,24)