tert-butyl 4-[[5-[[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxyphenyl]sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxyphenyl]sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[[4-(2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)phenyl]sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]thio]methyl]-2-[4-(trifluoromethyl)phenyl]-4-thiazolyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]sulfanylmethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[[[4-(2-ethoxy-2-keto-1,1-dimethyl-ethoxy)phenyl]thio]methyl]-2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H40F3N3O5S2 MolecularWeight: 679.81301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H40F3N3O5S2/c1-7-42-29(40)32(5,6)43-24-12-14-25(15-13-24)45-21-27-26(20-38-16-18-39(19-17-38)30(41)44-31(2,3)4)37-28(46-27)22-8-10-23(11-9-22)33(34,35)36/h8-15H,7,16-21H2,1-6H3