(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic 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 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H26N2O4S/c1-13-14(2)29-21-19(13)20(26)23-17(24-21)12-28-18(25)10-11-27-16-8-6-15(7-9-16)22(3,4)5/h6-9H,10-12H2,1-5H3,(H,23,24,26)