[(3S)-2-oxidanylideneoxolan-3-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OC3CCOC3=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)O[C@H]3CCOC3=O)C

InChI

InChI=1S/C18H18N2O4S/c1-11-9-12(2)20-18(19-11)25-10-13-5-3-4-6-14(13)16(21)24-15-7-8-23-17(15)22/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1