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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic 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 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC(C)C

InChI

InChI=1S/C22H26N2O5S/c1-6-27-17-9-15(7-8-16(17)28-10-12(2)3)22(26)29-11-18-23-20(25)19-13(4)14(5)30-21(19)24-18/h7-9,12H,6,10-11H2,1-5H3,(H,23,24,25)