2-phenoxyethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl 4-(2-chloro-6-fluoro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-chloro-6-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H25ClFNO4S MolecularWeight: 538.029503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC=C4Cl)F)C(=O)OCCOC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC=C4Cl)F)C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C29H25ClFNO4S/c1-17-25(29(34)36-13-12-35-19-7-3-2-4-8-19)28(26-20(30)9-5-10-21(26)31)27-22(32-17)15-18(16-23(27)33)24-11-6-14-37-24/h2-11,14,18,28,32H,12-13,15-16H2,1H3