ethyl (2E)-5-(4-dimethylaminophenyl)-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E)-5-(4-dimethylaminophenyl)-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E)-5-(4-dimethylaminophenyl)-2-[(4-iodophenyl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-5-(4-dimethylaminophenyl)-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-5-(4-dimethylaminophenyl)-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-5-(4-dimethylaminophenyl)-2-(4-iodobenzylidene)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H24IN3O3S MolecularWeight: 573.44583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC=C(C=C4)I)S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C\C4=CC=C(C=C4)I)/S2)C

InChI

InChI=1S/C25H24IN3O3S/c1-5-32-24(31)21-15(2)27-25-29(22(21)17-8-12-19(13-9-17)28(3)4)23(30)20(33-25)14-16-6-10-18(26)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+