(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C22H16N2O4S/c1-13-6-8-14(9-7-13)19(25)15-4-2-3-5-16(15)22(27)28-12-18-23-17-10-11-29-20(17)21(26)24-18/h2-11H,12H2,1H3,(H,23,24,26)