2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C24H28N2O5S2/c1-11-16-19(29)25-22(26-20(16)33-18(11)21(30)31)32-10-15(27)12-8-13(23(2,3)4)17(28)14(9-12)24(5,6)7/h8-9,28H,10H2,1-7H3,(H,30,31)(H,25,26,29)