ethyl 4-methylsulfanyl-5-(oxidanidylamino)-2-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-methylsulfanyl-5-(oxidanidylamino)-2-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl 4-methylsulfanyl-5-(oxidoamino)-2-oxo-pyrrole-3-carboxylate CAS Name: 4-(methylthio)-5-(oxidoamino)-2-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-5-(oxidoamino)-2-oxopyrrole-3-carboxylate Traditional Name: 2-keto-4-(methylthio)-5-(oxidoamino)pyrrole-3-carboxylic acid ethyl ester Formula: C8H9N2O4S- MolecularWeight: 229.23306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC1=O)N[O-])SC

Isomeric SMILES

CCOC(=O)C1=C(C(=NC1=O)N[O-])SC

InChI

InChI=1S/C8H9N2O4S/c1-3-14-8(12)4-5(15-2)6(10-13)9-7(4)11/h3H2,1-2H3,(H-,9,10,11,12,13)/q-1