ethyl 4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thiophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H28BrNO4S/c1-4-21-16(14-32-18-11-9-17(27)10-12-18)13-22(33-21)25-23(26(30)31-5-2)15(3)28-19-7-6-8-20(29)24(19)25/h9-13,25,28H,4-8,14H2,1-3H3