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

Systemtic Name: 2-phenoxyethyl (4S,7R)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,7R)-4-(3-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,7R)-4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-chlorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H26ClNO4S MolecularWeight: 520.03904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C29H26ClNO4S/c1-18-26(29(33)35-13-12-34-22-9-3-2-4-10-22)27(19-7-5-8-21(30)15-19)28-23(31-18)16-20(17-24(28)32)25-11-6-14-36-25/h2-11,14-15,20,26-27H,12-13,16-17H2,1H3/t20-,26?,27-/m1/s1