[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid [(3S)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid [(3S)-1,1-diketothiolan-3-yl] ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)OC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)O[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H18N2O4S2/c1-12-9-15(13-5-3-2-4-6-13)19-17(18-12)24-10-16(20)23-14-7-8-25(21,22)11-14/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1