[2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate Openeye Name: [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C24H16N4O3S MolecularWeight: 440.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C24H16N4O3S/c25-11-17-16-10-9-14-5-1-2-6-15(14)22(16)32-23(17)28-21(29)13-31-24(30)20-12-26-18-7-3-4-8-19(18)27-20/h1-8,12H,9-10,13H2,(H,28,29)