ethyl 3,5-dimethyl-1-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[2-(2-thienyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-(2-thiophen-2-ylethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-[2-(2-thienyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCC3=CC=CS3)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-21(26)19-14(2)23-24(15(19)3)17-9-7-16(8-10-17)20(25)22-12-11-18-6-5-13-28-18/h5-10,13H,4,11-12H2,1-3H3,(H,22,25)