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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(phenylcarbonyl)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic 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-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H18N2O4S/c1-13-14(2)30-22-19(13)21(27)24-18(25-22)12-29-23(28)17-11-7-6-10-16(17)20(26)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,24,25,27)