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

Systemtic Name: 5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12N3O5S- MolecularWeight: 370.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C17H13N3O5S/c1-8-3-4-10(7-11(8)20(24)25)5-6-12-18-15(21)13-9(2)14(17(22)23)26-16(13)19-12/h3-7H,1-2H3,(H,22,23)(H,18,19,21)/p-1/b6-5+