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

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H19N2O4S- MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

InChI

InChI=1S/C20H20N2O4S/c1-3-4-11-26-14-8-5-13(6-9-14)7-10-15-21-18(23)16-12(2)17(20(24)25)27-19(16)22-15/h5-10H,3-4,11H2,1-2H3,(H,24,25)(H,21,22,23)/p-1/b10-7+