ethyl 5-(2,2-dimethylthian-4-yl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2,2-dimethylthian-4-yl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(2,2-dimethyltetrahydrothiopyran-4-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(2,2-dimethyl-4-thianyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,2-dimethylthian-4-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(2,2-dimethyltetrahydrothiopyran-4-yl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)C2CCSC(C2)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)C2CCSC(C2)(C)C

InChI

InChI=1S/C13H20N2O2S/c1-4-17-12(16)10-8-14-15-11(10)9-5-6-18-13(2,3)7-9/h8-9H,4-7H2,1-3H3,(H,14,15)