methyl 3-[(E)-2-cyano-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(E)-2-cyano-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]furan-2-carboxylate Openeye Name: methyl 3-[(E)-2-cyano-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]furan-2-carboxylate CAS Name: 3-[(E)-2-cyano-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-2-cyano-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]furan-2-carboxylate Traditional Name: 3-[(E)-2-cyano-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]furan-2-carboxylic acid methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=C(OC=C3)C(=O)OC)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=C(OC=C3)C(=O)OC)/C#N)C

InChI

InChI=1S/C17H13N3O4S/c1-8-9(2)25-16-12(8)15(21)19-14(20-16)11(7-18)6-10-4-5-24-13(10)17(22)23-3/h4-6H,1-3H3,(H,19,20,21)/b11-6+