ethyl 5-methyl-1-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C4=CSC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C4=CSC=C4)C

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)19-13-23-25(15(19)2)18-8-6-16(7-9-18)21(26)24-11-4-5-20(24)17-10-12-29-14-17/h6-10,12-14,20H,3-5,11H2,1-2H3