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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C22H18N2O3S/c1-13-8-9-16(10-14(13)2)22(26)27-11-18-23-20(25)19-17(12-28-21(19)24-18)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,23,24,25)