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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CC(=C(C=C3)OCC=C)OC)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CC(=C(C=C3)OCC=C)OC)C(=O)O

InChI

InChI=1S/C20H18N2O5S/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/h4-8,10H,1,9H2,2-3H3,(H,24,25)(H,21,22,23)/b8-6+