(4-methyl-3-bicyclo[2.2.0]hexanyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (4-methyl-3-bicyclo[2.2.0]hexanyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: (4-methyl-3-bicyclo[2.2.0]hexanyl) 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid (4-methyl-3-bicyclo[2.2.0]hexanyl) ester IUPAC Name: (4-methyl-3-bicyclo[2.2.0]hexanyl) 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid (4-methyl-3-bicyclo[2.2.0]hexanyl) ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OC3CC4C3(CC4)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OC3CC4C3(CC4)C

InChI

InChI=1S/C20H22N2O2S/c1-13-10-16(14-6-4-3-5-7-14)22-19(21-13)25-12-18(23)24-17-11-15-8-9-20(15,17)2/h3-7,10,15,17H,8-9,11-12H2,1-2H3