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

Systemtic Name: [5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [5-(4-bromophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C22H16BrN3O7S MolecularWeight: 546.34734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H16BrN3O7S/c1-31-16-7-13(15(26(29)30)8-17(16)32-2)22(28)33-9-18-24-20(27)19-14(10-34-21(19)25-18)11-3-5-12(23)6-4-11/h3-8,10H,9H2,1-2H3,(H,24,25,27)