(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic 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 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OCC(C)C

InChI

InChI=1S/C20H22N2O5S/c1-4-25-16-9-13(5-6-15(16)26-10-12(2)3)20(24)27-11-17-21-14-7-8-28-18(14)19(23)22-17/h5-9,12H,4,10-11H2,1-3H3,(H,21,22,23)