(4-tert-butylcyclohexyl) 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid (4-tert-butylcyclohexyl) ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCC(CC2)C(C)(C)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC2CCC(CC2)C(C)(C)C)C#N

InChI

InChI=1S/C19H27N3O3S/c1-5-15-14(10-20)17(24)22-18(21-15)26-11-16(23)25-13-8-6-12(7-9-13)19(2,3)4/h12-13H,5-9,11H2,1-4H3,(H,21,22,24)