[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C23H25N3O3S/c1-4-12-25(15-20-11-8-13-30-20)21(27)16-29-23(28)22-17(2)24-26(18(22)3)14-19-9-6-5-7-10-19/h4-11,13H,1,12,14-16H2,2-3H3