4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H16N3O7S- MolecularWeight: 430.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O7S/c1-4-29-19(25)16-9(2)14-17(24)20-13(21-18(14)30-16)6-5-10-7-11(22(26)27)15(23)12(8-10)28-3/h5-8,23H,4H2,1-3H3,(H,20,21,24)/p-1/b6-5+