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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic 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-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-3-8-25-14-6-5-12(10-15(14)24-4-2)19(23)26-11-16-20-13-7-9-27-17(13)18(22)21-16/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,20,21,22)