ethyl 2-[(3-chloranylquinoxalin-2-yl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranylquinoxalin-2-yl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloroquinoxalin-2-yl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[(3-chloro-2-quinoxalinyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloroquinoxalin-2-yl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chloroquinoxalin-2-yl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-3-28-22(27)18-15(14-10-8-13(2)9-11-14)12-29-21(18)26-20-19(23)24-16-6-4-5-7-17(16)25-20/h4-12H,3H2,1-2H3,(H,25,26)