2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)ethanoate

Systemtic Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)ethanoate Openeye Name: 2-(3-ethoxy-5-nitro-benzothiophen-2-yl)acetate CAS Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)acetate IUPAC Name: 2-(3-ethoxy-5-nitro-1-benzothiophen-2-yl)acetate Traditional Name: 2-(3-ethoxy-5-nitro-benzothiophen-2-yl)acetate Formula: C12H10NO5S- MolecularWeight: 280.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H11NO5S/c1-2-18-12-8-5-7(13(16)17)3-4-9(8)19-10(12)6-11(14)15/h3-5H,2,6H2,1H3,(H,14,15)/p-1