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

Systemtic Name: 2-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H9ClN3O5S- MolecularWeight: 390.77776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)[O-]

InChI

InChI=1S/C16H10ClN3O5S/c1-7-12-14(21)18-11(19-15(12)26-13(7)16(22)23)5-2-8-6-9(20(24)25)3-4-10(8)17/h2-6H,1H3,(H,22,23)(H,18,19,21)/p-1/b5-2+