ethyl 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoate

Systemtic Name: ethyl 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoate Openeye Name: ethyl 4-[4-(2-quinolylmethylsulfanyl)phenoxy]butanoate CAS Name: 4-[4-(2-quinolinylmethylthio)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoate Traditional Name: 4-[4-(2-quinolylmethylthio)phenoxy]butyric acid ethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23NO3S/c1-2-25-22(24)8-5-15-26-19-11-13-20(14-12-19)27-16-18-10-9-17-6-3-4-7-21(17)23-18/h3-4,6-7,9-14H,2,5,8,15-16H2,1H3