ethyl 2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-4-(5-bromo-2-thienyl)-5-oxo-1-(p-tolyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-1-(p-tolyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H23BrN2O3S MolecularWeight: 487.40932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)C4=CC=C(C=C4)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)C4=CC=C(C=C4)C)N

InChI

InChI=1S/C23H23BrN2O3S/c1-3-29-23(28)21-20(17-11-12-18(24)30-17)19-15(5-4-6-16(19)27)26(22(21)25)14-9-7-13(2)8-10-14/h7-12,20H,3-6,25H2,1-2H3