pentyl 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: pentyl 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: pentyl 2-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid amyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C22H26N2O3S/c1-4-6-7-12-27-22(26)15(3)24-14-23-20-19(21(24)25)18(13-28-20)17-10-8-16(5-2)9-11-17/h8-11,13-15H,4-7,12H2,1-3H3