S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 5-nitrofuran-2-carbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 5-nitrofuran-2-carbothioate Openeye Name: S-(1-carbamoylvinyl) 5-nitrofuran-2-carbothioate CAS Name: 5-nitro-2-furancarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 5-nitrofuran-2-carbothioate Traditional Name: 5-nitrofuran-2-carbothioic acid S-(1-carbamoylvinyl) ester Formula: C8H6N2O5S MolecularWeight: 242.20864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

C=C(C(=O)N)SC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O5S/c1-4(7(9)11)16-8(12)5-2-3-6(15-5)10(13)14/h2-3H,1H2,(H2,9,11)