S-[(4R)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 3-nitrobenzenecarbothioate

Systemtic Name: S-[(4R)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 3-nitrobenzenecarbothioate Openeye Name: S-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] ester IUPAC Name: S-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-[(4R)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C12H11N3O4S MolecularWeight: 293.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC(=O)NC(=N1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-7-5-10(16)14-12(13-7)20-11(17)8-3-2-4-9(6-8)15(18)19/h2-4,6-7H,5H2,1H3,(H,13,14,16)/t7-/m1/s1