(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C20H20N2O5S/c1-2-10-26-14-5-3-13(4-6-14)16(23)7-8-18(24)27-12-17-21-15-9-11-28-19(15)20(25)22-17/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,21,22,25)