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

Systemtic Name: pentyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: pentyl 2-[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid amyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S/c1-3-4-5-10-26-20(25)13(2)23-12-22-18-17(19(23)24)16(11-27-18)14-6-8-15(21)9-7-14/h6-9,11-13H,3-5,10H2,1-2H3