[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N(C)CC2=CC=CS2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N(C)CC2=CC=CS2)Cl)C

InChI

InChI=1S/C14H16ClN3O3S/c1-9-12(13(15)18(3)16-9)14(20)21-8-11(19)17(2)7-10-5-4-6-22-10/h4-6H,7-8H2,1-3H3