2-propan-2-yloxyethyl (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-propan-2-yloxyethyl (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-isopropoxyethyl (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-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (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-isopropoxyethyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC(C)C)C3=CC(=CC=C3)Cl)C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC(C)C)C3=CC(=CC=C3)Cl)C(=O)C[C@@H](C2)C4=CC=CS4

InChI

InChI=1S/C26H28ClNO4S/c1-15(2)31-9-10-32-26(30)23-16(3)28-20-13-18(22-8-5-11-33-22)14-21(29)25(20)24(23)17-6-4-7-19(27)12-17/h4-8,11-12,15,18,23-24H,9-10,13-14H2,1-3H3/t18-,23?,24-/m1/s1