(4-tert-butylcyclohexyl) 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (4-tert-butylcyclohexyl) ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)OC3CCC(CC3)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)OC3CCC(CC3)C(C)(C)C)C

InChI

InChI=1S/C20H28N2O3S2/c1-11-12(2)27-18-16(11)17(24)21-19(22-18)26-10-15(23)25-14-8-6-13(7-9-14)20(3,4)5/h13-14H,6-10H2,1-5H3,(H,21,22,24)