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

Systemtic Name: methyl 2-[(E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)OC

InChI

InChI=1S/C20H19BrN2O5S/c1-5-28-16-12(21)8-11(9-13(16)26-3)6-7-14-22-18(24)15-10(2)17(20(25)27-4)29-19(15)23-14/h6-9H,5H2,1-4H3,(H,22,23,24)/b7-6+