tert-butyl 3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]-5-(2-ethoxy-2-oxo-ethyl)pyrazole-1-carboxylate CAS Name: 3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-5-(2-ethoxy-2-oxoethyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]-5-(2-ethoxy-2-oxoethyl)pyrazole-1-carboxylate Traditional Name: 3-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]-5-(2-ethoxy-2-keto-ethyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=NN1C(=O)OC(C)(C)C)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CC1=CC(=NN1C(=O)OC(C)(C)C)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C20H29N3O5S/c1-6-27-18(25)11-16-10-15(22-23(16)19(26)28-20(3,4)5)9-14-12-21-8-7-17(14)29-13(2)24/h9-10,17,21H,6-8,11-12H2,1-5H3/b14-9+