(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-propoxybenzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-propoxybenzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H20N2O4S/c1-4-9-24-14-7-5-13(6-8-14)19(23)25-10-15-20-17(22)16-11(2)12(3)26-18(16)21-15/h5-8H,4,9-10H2,1-3H3,(H,20,21,22)