[4-[(2S)-butan-2-yl]phenyl] 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H20N2O5S/c1-5-11(2)12-6-8-13(9-7-12)23-24(21,22)14-10-17(3)16(20)18(4)15(14)19/h6-11H,5H2,1-4H3/t11-/m0/s1