2-[(E)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)OC

InChI

InChI=1S/C20H20N2O5S/c1-4-9-27-13-7-5-12(10-14(13)26-3)6-8-15-21-18(23)16-11(2)17(20(24)25)28-19(16)22-15/h5-8,10H,4,9H2,1-3H3,(H,24,25)(H,21,22,23)/b8-6+