[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-propoxybenzoate

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-propoxybenzoate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C20H22N2O4S/c1-5-10-25-15-8-6-14(7-9-15)20(24)26-12(3)17-21-18(23)16-11(2)13(4)27-19(16)22-17/h6-9,12H,5,10H2,1-4H3,(H,21,22,23)/t12-/m1/s1