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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic 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-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-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:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OCC

InChI

InChI=1S/C20H22N2O5S/c1-3-5-9-26-15-7-6-13(11-16(15)25-4-2)20(24)27-12-17-21-14-8-10-28-18(14)19(23)22-17/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,21,22,23)