methyl 3-chloranyl-4-[4-[3-cyano-3-(6-methylsulfanyl-1,3-benzoxazol-2-yl)-2-oxidanylidene-propoxy]phenoxy]benzoate

Systemtic Name: methyl 3-chloranyl-4-[4-[3-cyano-3-(6-methylsulfanyl-1,3-benzoxazol-2-yl)-2-oxidanylidene-propoxy]phenoxy]benzoate Openeye Name: methyl 3-chloro-4-[4-[3-cyano-3-(6-methylsulfanyl-1,3-benzoxazol-2-yl)-2-oxo-propoxy]phenoxy]benzoate CAS Name: 3-chloro-4-[4-[3-cyano-3-[6-(methylthio)-1,3-benzoxazol-2-yl]-2-oxopropoxy]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[4-[3-cyano-3-(6-methylsulfanyl-1,3-benzoxazol-2-yl)-2-oxopropoxy]phenoxy]benzoate Traditional Name: 3-chloro-4-[4-[3-cyano-2-keto-3-[6-(methylthio)-1,3-benzoxazol-2-yl]propoxy]phenoxy]benzoic acid methyl ester Formula: C26H19ClN2O6S MolecularWeight: 522.95686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC4=C(O3)C=C(C=C4)SC)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC4=C(O3)C=C(C=C4)SC)Cl

InChI

InChI=1S/C26H19ClN2O6S/c1-32-26(31)15-3-10-23(20(27)11-15)34-17-6-4-16(5-7-17)33-14-22(30)19(13-28)25-29-21-9-8-18(36-2)12-24(21)35-25/h3-12,19H,14H2,1-2H3