ethyl 2-[bis(3-methylphenoxy)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(3-methylphenoxy)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(3-methylphenoxy)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C27H30NO6PS MolecularWeight: 527.568961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C27H30NO6PS/c1-4-32-26(29)18-28(27(30)36-19-23-12-6-5-7-13-23)20-35(31,33-24-14-8-10-21(2)16-24)34-25-15-9-11-22(3)17-25/h5-17H,4,18-20H2,1-3H3