4-(5-chloranyl-2-oxidanyl-phenyl)-3-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-(2-hydroxy-3-pyrrolidin-1-yl-propyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-hydroxy-3-(1-pyrrolidinyl)propyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[(2-hydroxy-3-pyrrolidino-propyl)thio]-6-(trifluoromethyl)carbostyril Formula: C23H22ClF3N2O3S MolecularWeight: 498.94559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

Isomeric SMILES

C1CCN(C1)CC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

InChI

InChI=1S/C23H22ClF3N2O3S/c24-14-4-6-19(31)17(10-14)20-16-9-13(23(25,26)27)3-5-18(16)28-22(32)21(20)33-12-15(30)11-29-7-1-2-8-29/h3-6,9-10,15,30-31H,1-2,7-8,11-12H2,(H,28,32)