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

Systemtic Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]-2-nitro-phenolate Formula: C18H14N3O6S- MolecularWeight: 400.38526

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

InChI

InChI=1S/C18H15N3O6S/c1-3-27-18(24)15-9(2)14-16(23)19-13(20-17(14)28-15)7-5-10-4-6-12(22)11(8-10)21(25)26/h4-8,22H,3H2,1-2H3,(H,19,20,23)/p-1/b7-5+