ethyl (2E)-2-[[3,5-bis(bromanyl)-4-prop-2-enoxy-phenyl]methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E)-2-[[3,5-bis(bromanyl)-4-prop-2-enoxy-phenyl]methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E)-2-[(4-allyloxy-3,5-dibromo-phenyl)methylene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-2-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-2-(4-allyloxy-3,5-dibromo-benzylidene)-5-(3,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H26Br2N2O6S MolecularWeight: 678.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC=C)Br)S2)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26Br2N2O6S/c1-6-10-38-25-18(29)11-16(12-19(25)30)13-22-26(33)32-24(17-8-9-20(35-4)21(14-17)36-5)23(27(34)37-7-2)15(3)31-28(32)39-22/h6,8-9,11-14,24H,1,7,10H2,2-5H3/b22-13+