2-ethoxyethyl 2-[bis(2-chloranyl-4-fluoranyl-phenoxy)phosphorylmethyl-prop-2-ynylsulfanylcarbonyl-amino]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[bis(2-chloranyl-4-fluoranyl-phenoxy)phosphorylmethyl-prop-2-ynylsulfanylcarbonyl-amino]ethanoate Openeye Name: 2-ethoxyethyl 2-[bis(2-chloro-4-fluoro-phenoxy)phosphorylmethyl-prop-2-ynylsulfanylcarbonyl-amino]acetate CAS Name: 2-[bis(2-chloro-4-fluorophenoxy)phosphorylmethyl-[oxo-(prop-2-ynylthio)methyl]amino]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[bis(2-chloro-4-fluorophenoxy)phosphorylmethyl-prop-2-ynylsulfanylcarbonylamino]acetate Traditional Name: 2-[bis(2-chloro-4-fluoro-phenoxy)phosphorylmethyl-(propargylthio)carbonyl-amino]acetic acid 2-ethoxyethyl ester Formula: C23H22Cl2F2NO7PS MolecularWeight: 596.364847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)CN(CP(=O)(OC1=C(C=C(C=C1)F)Cl)OC2=C(C=C(C=C2)F)Cl)C(=O)SCC#C

Isomeric SMILES

CCOCCOC(=O)CN(CP(=O)(OC1=C(C=C(C=C1)F)Cl)OC2=C(C=C(C=C2)F)Cl)C(=O)SCC#C

InChI

InChI=1S/C23H22Cl2F2NO7PS/c1-3-11-37-23(30)28(14-22(29)33-10-9-32-4-2)15-36(31,34-20-7-5-16(26)12-18(20)24)35-21-8-6-17(27)13-19(21)25/h1,5-8,12-13H,4,9-11,14-15H2,2H3