4-[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethyl-butanoic acid Openeye Name: 4-[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanyl-3,3-dimethyl-butanoic acid CAS Name: 4-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]-3,3-dimethylbutanoic acid IUPAC Name: 4-[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethylbutanoic acid Traditional Name: 4-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]-3,3-dimethyl-butyric acid Formula: C35H38ClNO3S MolecularWeight: 588.19912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)CSC(CCC1=CC=CC=C1C(C)(C)O)C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3

Isomeric SMILES

CC(C)(CC(=O)O)CS[C@H](CCC1=CC=CC=C1C(C)(C)O)C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3

InChI

InChI=1S/C35H38ClNO3S/c1-34(2,22-33(38)39)23-41-32(19-15-25-9-5-6-11-30(25)35(3,4)40)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(36)21-31(26)37-29/h5-14,16-18,20-21,32,40H,15,19,22-23H2,1-4H3,(H,38,39)/b17-12+/t32-/m1/s1