ethyl 2-[[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate

Systemtic Name: ethyl 2-[[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate Openeye Name: ethyl 2-[[2-[4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-2-oxo-1-pyrazol-3-ylidene-ethyl]amino]oxyacetate CAS Name: 2-[[2-[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-2-oxo-1-(3-pyrazolylidene)ethyl]amino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxo-1-pyrazol-3-ylideneethyl]amino]oxyacetate Traditional Name: 2-[[2-[4-(4-tert-butylthiazol-2-yl)piperidino]-2-keto-1-pyrazol-3-ylidene-ethyl]amino]oxyacetic acid ethyl ester Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CONC(=C1C=CN=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CCOC(=O)CONC(=C1C=CN=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C21H29N5O4S/c1-5-29-17(27)12-30-25-18(15-6-9-22-24-15)20(28)26-10-7-14(8-11-26)19-23-16(13-31-19)21(2,3)4/h6,9,13-14,25H,5,7-8,10-12H2,1-4H3