(phenylmethyl) (2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) (2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: benzyl (2Z)-5-(4-benzyloxyphenyl)-2-[(2-chloro-6-fluoro-phenyl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-3-oxo-5-(4-phenylmethoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-3-oxo-5-(4-phenylmethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2Z)-5-(4-benzoxyphenyl)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C35H26ClFN2O4S MolecularWeight: 625.108343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(N2C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/SC2=N1)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C35H26ClFN2O4S/c1-22-31(34(41)43-21-24-11-6-3-7-12-24)32(25-15-17-26(18-16-25)42-20-23-9-4-2-5-10-23)39-33(40)30(44-35(39)38-22)19-27-28(36)13-8-14-29(27)37/h2-19,32H,20-21H2,1H3/b30-19-