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

Systemtic Name: (4-propanoylphenyl) 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: (4-propanoylphenyl) 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid (4-propionylphenyl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N2O4S/c1-3-21(28)18-8-10-19(11-9-18)31-22(29)12-13-27-15-26-24-23(25(27)30)20(14-32-24)17-6-4-16(2)5-7-17/h4-11,14-15H,3,12-13H2,1-2H3