ethyl 4-[3-[4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenoxy]propoxy]benzoate

Systemtic Name: ethyl 4-[3-[4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenoxy]propoxy]benzoate Openeye Name: ethyl 4-[3-[4-(4-cyano-3-methylsulfanyl-isothiazol-5-yl)phenoxy]propoxy]benzoate CAS Name: 4-[3-[4-[4-cyano-3-(methylthio)-5-isothiazolyl]phenoxy]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenoxy]propoxy]benzoate Traditional Name: 4-[3-[4-[4-cyano-3-(methylthio)isothiazol-5-yl]phenoxy]propoxy]benzoic acid ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=C(C(=NS3)SC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=C(C(=NS3)SC)C#N

InChI

InChI=1S/C23H22N2O4S2/c1-3-27-23(26)17-7-11-19(12-8-17)29-14-4-13-28-18-9-5-16(6-10-18)21-20(15-24)22(30-2)25-31-21/h5-12H,3-4,13-14H2,1-2H3