(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC)OC

InChI

InChI=1S/C17H16N2O6S/c1-22-11-5-4-9(13(23-2)14(11)24-3)17(21)25-8-12-18-10-6-7-26-15(10)16(20)19-12/h4-7H,8H2,1-3H3,(H,18,19,20)