(Q27121508)

MLS001304727 (English)

6 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₅ClNO₃S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O

1 reference

MLS001304727 (English)

6 October 2016

isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O

1 reference

MLS001304727 (English)

InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/p-1/b15-10+/t32-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

MLS001304727 (English)

UCHDWCPVSPXUMX-TZIWLTJVSA-M

6 October 2016

InChIKey

2 references

MLS001304727 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

{1-[({(1R)-1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate (English)

6 October 2016

1 reference

MLS001304727 (English)

6 October 2016

Reaxys registry number

7612011

1 reference

montelukast(1-) (English)

6 October 2016

ChEBI ID

49165

mapping relation type

1 reference