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

Systemtic Name: ethyl 5-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-[(E)-2-(4-nitrophenyl)vinyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-[(E)-2-(4-nitrophenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c1-2-25-17(22)14-12(13-15(21)18-9-19-16(13)26-14)8-5-10-3-6-11(7-4-10)20(23)24/h3-9H,2H2,1H3,(H,18,19,21)/b8-5+