(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic 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 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C22H24N2O5S/c1-4-11-28-16-7-5-15(6-8-16)17(25)9-10-19(26)29-12-18-23-21(27)20-13(2)14(3)30-22(20)24-18/h5-8H,4,9-12H2,1-3H3,(H,23,24,27)