(2-methoxy-5-nitro-phenyl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H15N3O6S/c1-25-14-3-2-12(20(23)24)8-11(14)9-26-15(21)4-6-19-10-18-16-13(17(19)22)5-7-27-16/h2-3,5,7-8,10H,4,6,9H2,1H3