(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C24H20N2O4S MolecularWeight: 432.4916

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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(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C24H20N2O4S/c1-13-8-10-16(11-9-13)21(27)17-6-4-5-7-18(17)24(29)30-12-19-25-22(28)20-14(2)15(3)31-23(20)26-19/h4-11H,12H2,1-3H3,(H,25,26,28)