ethyl 2-[bis(3-methylphenoxy)phosphorylmethyl-(phenylmethyl)sulfinylcarbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(3-methylphenoxy)phosphorylmethyl-(phenylmethyl)sulfinylcarbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfinylcarbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(3-methylphenoxy)phosphorylmethyl-[oxo-(phenylmethyl)sulfinylmethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfinylcarbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetate Traditional Name: 2-[benzylsulfinylcarbonyl-[bis(3-methylphenoxy)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C27H30NO7PS MolecularWeight: 543.568361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C)C(=O)S(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)C)OC2=CC=CC(=C2)C)C(=O)S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H30NO7PS/c1-4-33-26(29)18-28(27(30)37(32)19-23-12-6-5-7-13-23)20-36(31,34-24-14-8-10-21(2)16-24)35-25-15-9-11-22(3)17-25/h5-17H,4,18-20H2,1-3H3