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

Systemtic Name: ethyl 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC(=C(C=C3)C(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC(=C(C=C3)C(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O5S/c1-5-29-21(26)18-12(4)17-19(25)22-16(23-20(17)30-18)9-7-13-6-8-14(11(2)3)15(10-13)24(27)28/h6-11H,5H2,1-4H3,(H,22,23,25)/b9-7+