2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanyl-ethoxy]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: 2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanyl-ethoxy]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: 2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-ethoxy]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: 2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide Traditional Name: 2-[[(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-ethoxy]methyl]-N-(4-chlorobenzyl)-4-keto-7-methyl-thieno[2,3-b]pyridine-5-carboxamide Formula: C27H21ClF6N2O4S MolecularWeight: 618.975059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1SC(=C2)COCC(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1SC(=C2)COC[C@H](C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H21ClF6N2O4S/c1-36-11-21(24(39)35-10-14-2-4-18(28)5-3-14)23(38)20-9-19(41-25(20)36)12-40-13-22(37)15-6-16(26(29,30)31)8-17(7-15)27(32,33)34/h2-9,11,22,37H,10,12-13H2,1H3,(H,35,39)/t22-/m1/s1