methyl 3-nitro-5-[(2-oxidanylidenethiolan-3-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-oxidanylidenethiolan-3-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(2-oxotetrahydrothiophen-3-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(2-oxo-3-thiolanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-oxothiolan-3-yl)carbamoyl]benzoate Traditional Name: 3-[(2-ketotetrahydrothiophen-3-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H12N2O6S MolecularWeight: 324.30918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S/c1-21-12(17)8-4-7(5-9(6-8)15(19)20)11(16)14-10-2-3-22-13(10)18/h4-6,10H,2-3H2,1H3,(H,14,16)