5-[(5S)-5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxidanyl-benzoate

Systemtic Name: 5-[(5S)-5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[(5S)-5-methyl-4-oxo-2-thioxo-hexahydropyrimidin-1-yl]benzoate CAS Name: 2-hydroxy-5-[(5S)-5-methyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoate IUPAC Name: 2-hydroxy-5-[(5S)-5-methyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoate Traditional Name: 2-hydroxy-5-[(5S)-4-keto-5-methyl-2-thioxo-hexahydropyrimidin-1-yl]benzoate Formula: C12H11N2O4S- MolecularWeight: 279.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=S)NC1=O)C2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C[C@H]1CN(C(=S)NC1=O)C2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C12H12N2O4S/c1-6-5-14(12(19)13-10(6)16)7-2-3-9(15)8(4-7)11(17)18/h2-4,6,15H,5H2,1H3,(H,17,18)(H,13,16,19)/p-1/t6-/m0/s1