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

Systemtic Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CC(=CC(=C3)OC)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CC(=CC(=C3)OC)OC)C(=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-9-14-16(21)19-13(20-17(14)26-15(9)18(22)23)5-4-10-6-11(24-2)8-12(7-10)25-3/h4-8H,1-3H3,(H,22,23)(H,19,20,21)/p-1/b5-4+