(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,4-dimethoxybenzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,4-dimethoxybenzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)OC

InChI

InChI=1S/C22H18N2O5S/c1-27-14-8-9-15(17(10-14)28-2)22(26)29-11-18-23-20(25)19-16(12-30-21(19)24-18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,23,24,25)