ethyl 8-thiophen-2-yl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate

Systemtic Name: ethyl 8-thiophen-2-yl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate Openeye Name: ethyl 8-(2-thienyl)-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate CAS Name: 8-thiophen-2-yl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-thiophen-2-yl-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylate Traditional Name: 8-(2-thienyl)-3H-pyrrolo[3,4-e][2,1,3]benzothiadiazole-6-carboxylic acid ethyl ester Formula: C15H11N3O2S2 MolecularWeight: 329.39674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C1=CC=C3C2=NSN3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=NC(=C2C1=CC=C3C2=NSN3)C4=CC=CS4

InChI

InChI=1S/C15H11N3O2S2/c1-2-20-15(19)12-8-5-6-9-13(18-22-17-9)11(8)14(16-12)10-4-3-7-21-10/h3-7,17H,2H2,1H3