2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[1-(1,1-dioxothiolan-3-yl)-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic acid CAS Name: 2-[1-(1,1-dioxo-3-thiolanyl)-4,6-dimethyl-2-oxo-5-pyrimidinyl]acetic acid IUPAC Name: 2-[1-(1,1-dioxothiolan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid Traditional Name: 2-[1-(1,1-diketothiolan-3-yl)-2-keto-4,6-dimethyl-pyrimidin-5-yl]acetic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2CCS(=O)(=O)C2)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2CCS(=O)(=O)C2)C)CC(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-7-10(5-11(15)16)8(2)14(12(17)13-7)9-3-4-20(18,19)6-9/h9H,3-6H2,1-2H3,(H,15,16)