ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H36F3N3O5S2 MolecularWeight: 651.75985

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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)OCC

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)OCC

InChI

InChI=1S/C31H36F3N3O5S2/c1-5-40-28(38)30(3,4)42-23-11-13-24(14-12-23)43-20-26-25(19-36-15-17-37(18-16-36)29(39)41-6-2)35-27(44-26)21-7-9-22(10-8-21)31(32,33)34/h7-14H,5-6,15-20H2,1-4H3