ethyl 2-[[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3,4-dimethylanilino)-2-quinoxalinyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H26N4O2S MolecularWeight: 494.60734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NC5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NC5=CC(=C(C=C5)C)C

InChI

InChI=1S/C29H26N4O2S/c1-4-35-29(34)25-22(20-10-6-5-7-11-20)17-36-28(25)33-27-26(30-21-15-14-18(2)19(3)16-21)31-23-12-8-9-13-24(23)32-27/h5-17H,4H2,1-3H3,(H,30,31)(H,32,33)