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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C22H18N2O5S/c1-11-13(3)30-21-19(11)20(26)23-18(24-21)10-28-22(27)17-9-8-16(29-17)15-6-4-14(5-7-15)12(2)25/h4-9H,10H2,1-3H3,(H,23,24,26)