(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic 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 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H13N3O7S MolecularWeight: 391.35532

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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)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N3O7S/c1-24-11-5-8(10(19(22)23)6-12(11)25-2)16(21)26-7-13-17-9-3-4-27-14(9)15(20)18-13/h3-6H,7H2,1-2H3,(H,17,18,20)