ethyl 2-[[2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]phenyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]phenyl]amino]ethanoate Openeye Name: ethyl 2-[2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]anilino]acetate CAS Name: 2-[2-[[4-(4-phenylbutoxy)phenyl]methylthio]anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]anilino]acetate Traditional Name: 2-[2-[[4-(4-phenylbutoxy)benzyl]thio]anilino]acetic acid ethyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=CC=CC=C1SCC2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC1=CC=CC=C1SCC2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO3S/c1-2-30-27(29)20-28-25-13-6-7-14-26(25)32-21-23-15-17-24(18-16-23)31-19-9-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-18,28H,2,8-9,12,19-21H2,1H3