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

Systemtic Name: phenethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-chlorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H26ClNO3S MolecularWeight: 504.03964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26ClNO3S/c1-18-26(29(33)34-14-13-19-6-3-2-4-7-19)27(20-9-11-22(30)12-10-20)28-23(31-18)16-21(17-24(28)32)25-8-5-15-35-25/h2-12,15,21,26-27H,13-14,16-17H2,1H3/t21-,26?,27-/m1/s1