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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H24N2O4S/c1-6-15-12(2)29-20-17(15)19(26)23-18(24-20)13-7-9-14(10-8-13)21(27)28-11-16(25)22(3,4)5/h7-10H,6,11H2,1-5H3,(H,23,24,26)