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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic 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-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O6S/c19-13(8-23-11-4-2-1-3-10(11)18(21)22)24-7-12-16-9-5-6-25-14(9)15(20)17-12/h1-6H,7-8H2,(H,16,17,20)