(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C28H20N2O4S MolecularWeight: 480.5344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C28H20N2O4S/c1-17-11-13-19(14-12-17)25(31)20-9-5-6-10-21(20)28(33)34-15-23-29-26(32)24-22(16-35-27(24)30-23)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,29,30,32)