2-[(E)-2-(4-ethyl-3-nitro-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(E)-2-(4-ethyl-3-nitro-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(4-ethyl-3-nitro-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-ethyl-3-nitro-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H14N3O5S- MolecularWeight: 384.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-3-11-6-4-10(8-12(11)21(25)26)5-7-13-19-16(22)14-9(2)15(18(23)24)27-17(14)20-13/h4-8H,3H2,1-2H3,(H,23,24)(H,19,20,22)/p-1/b7-5+