[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-5,8H,6-7,10,21H2,1H3/b15-11+