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

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(E)-2-(4-pentoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-[(E)-2-(4-pentoxyphenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(E)-2-(4-pentoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-[(E)-2-(4-pentoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-amoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H21N2O4S- MolecularWeight: 397.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

InChI

InChI=1S/C21H22N2O4S/c1-3-4-5-12-27-15-9-6-14(7-10-15)8-11-16-22-19(24)17-13(2)18(21(25)26)28-20(17)23-16/h6-11H,3-5,12H2,1-2H3,(H,25,26)(H,22,23,24)/p-1/b11-8+