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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C22H26N2O6S/c1-6-27-15-9-14(10-16(28-7-2)19(15)29-8-3)22(26)30-11-17-23-20(25)18-12(4)13(5)31-21(18)24-17/h9-10H,6-8,11H2,1-5H3,(H,23,24,25)