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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)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-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C22H24N2O4S/c1-2-3-4-5-15-6-8-16(9-7-15)18(25)10-11-20(26)28-14-19-23-17-12-13-29-21(17)22(27)24-19/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,24,27)