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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-ethoxy-4-propoxy-benzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-6-10-28-16-9-8-15(11-17(16)27-7-2)22(26)29-13(4)19-23-20(25)18-12(3)14(5)30-21(18)24-19/h8-9,11,13H,6-7,10H2,1-5H3,(H,23,24,25)