(3,3-dimethyl-2-oxidanylidene-butyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H22N2O3S2/c1-12-13(2)27-18-17(12)19(23-11-22-18)28-15-9-7-6-8-14(15)20(25)26-10-16(24)21(3,4)5/h6-9,11H,10H2,1-5H3