(phenylmethyl) (2E)-5-(4-fluorophenyl)-7-methyl-3-oxidanylidene-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) (2E)-5-(4-fluorophenyl)-7-methyl-3-oxidanylidene-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: benzyl (2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-2-(2-pyridylmethylene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-2-(2-pyridinylmethylidene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-5-(4-fluorophenyl)-7-methyl-3-oxo-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-5-(4-fluorophenyl)-3-keto-7-methyl-2-(2-pyridylmethylene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C27H20FN3O3S MolecularWeight: 485.529403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC=CC=N3)SC2=N1)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=O)/C(=C\C3=CC=CC=N3)/SC2=N1)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H20FN3O3S/c1-17-23(26(33)34-16-18-7-3-2-4-8-18)24(19-10-12-20(28)13-11-19)31-25(32)22(35-27(31)30-17)15-21-9-5-6-14-29-21/h2-15,24H,16H2,1H3/b22-15+