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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)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-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C20H20N2O4S/c1-2-3-13-4-6-14(7-5-13)16(23)8-9-18(24)26-12-17-21-15-10-11-27-19(15)20(25)22-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,22,25)