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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-(4-ethoxyphenoxy)propanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic 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-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C21H24N2O5S/c1-5-26-15-6-8-16(9-7-15)27-11-10-17(24)28-13(3)19-22-20(25)18-12(2)14(4)29-21(18)23-19/h6-9,13H,5,10-11H2,1-4H3,(H,22,23,25)