methyl 2-[4-oxidanylidene-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[(1S)-2-oxocyclohexyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[(1S)-2-ketocyclohexyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SC2CCCCC2=O

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)S[C@H]2CCCCC2=O

InChI

InChI=1S/C13H16N2O4S/c1-19-12(18)7-8-6-11(17)15-13(14-8)20-10-5-3-2-4-9(10)16/h6,10H,2-5,7H2,1H3,(H,14,15,17)/t10-/m0/s1