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

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-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] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C22H23N3O3S/c1-4-12-24(14-19-11-8-13-29-19)20(26)15-28-22(27)21-16(2)23-25(17(21)3)18-9-6-5-7-10-18/h4-11,13H,1,12,14-15H2,2-3H3