phenyl 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: phenyl 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: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C35H36F3N3O5S2 MolecularWeight: 699.80265

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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)OC5=CC=CC=C5

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)OC5=CC=CC=C5

InChI

InChI=1S/C35H36F3N3O5S2/c1-4-44-32(42)34(2,3)46-27-14-16-28(17-15-27)47-23-30-29(39-31(48-30)24-10-12-25(13-11-24)35(36,37)38)22-40-18-20-41(21-19-40)33(43)45-26-8-6-5-7-9-26/h5-17H,4,18-23H2,1-3H3