(phenylmethyl) 2-[(5-cyano-6-cyclohexyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-cyano-6-cyclohexyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-cyano-6-cyclohexyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-cyclohexyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-cyano-6-cyclohexyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-cyclohexyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H21N3O3S/c21-11-16-18(15-9-5-2-6-10-15)22-20(23-19(16)25)27-13-17(24)26-12-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,12-13H2,(H,22,23,25)