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

Systemtic Name: ethyl 2-[(E)-2-(4-ethyl-3-nitro-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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-carboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)OCC)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)OCC)C)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-4-13-8-6-12(10-14(13)23(26)27)7-9-15-21-18(24)16-11(3)17(20(25)28-5-2)29-19(16)22-15/h6-10H,4-5H2,1-3H3,(H,21,22,24)/b9-7+