(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 1-[(4-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-[(4-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)N3CCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)N3CCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-13-17-11-18(21(27)28-14(2)19(26)24-9-3-4-10-24)29-20(17)25(23-13)12-15-5-7-16(22)8-6-15/h5-8,11,14H,3-4,9-10,12H2,1-2H3