(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2

InChI

InChI=1S/C19H16N2O3S/c1-11(21)15(9-20)16(22)10-24-19(23)17-8-13-7-6-12-4-2-3-5-14(12)18(13)25-17/h2-5,8,15,21H,6-7,10H2,1H3