propan-2-yl (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: propan-2-yl (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: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C31H26ClFN2O4S MolecularWeight: 577.065543

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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)OC(C)C

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)OC(C)C

InChI

InChI=1S/C31H26ClFN2O4S/c1-18(2)39-30(37)27-19(3)34-31-35(29(36)26(40-31)16-23-24(32)10-7-11-25(23)33)28(27)21-12-14-22(15-13-21)38-17-20-8-5-4-6-9-20/h4-16,18,28H,17H2,1-3H3/b26-16-