ethyl 2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC(=C(C=C3Br)OC)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC(=C(C=C3Br)OC)O)C

InChI

InChI=1S/C19H17BrN2O5S/c1-4-27-19(25)16-9(2)15-17(24)21-14(22-18(15)28-16)6-5-10-7-12(23)13(26-3)8-11(10)20/h5-8,23H,4H2,1-3H3,(H,21,22,24)/b6-5+