phenethyl (4R,7R)-4-(2-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R,7R)-4-(2-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,7R)-4-(2-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,7R)-4-(2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(2-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H26FNO3S MolecularWeight: 487.585043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C29H26FNO3S/c1-18-26(29(33)34-14-13-19-8-3-2-4-9-19)27(21-10-5-6-11-22(21)30)28-23(31-18)16-20(17-24(28)32)25-12-7-15-35-25/h2-12,15,20,26-27H,13-14,16-17H2,1H3/t20-,26?,27-/m1/s1