(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate

Systemtic Name: (6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate Openeye Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid (6-acetyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2

InChI

InChI=1S/C21H22N2O5S/c1-4-27-15-8-6-5-7-14(15)9-10-17(25)28-11-16-22-20(26)18-12(2)19(13(3)24)29-21(18)23-16/h5-8H,4,9-11H2,1-3H3,(H,22,23,26)