2-ethoxyethyl 2-[bis(3-bromanylsulfanyl-4-methyl-phenoxy)phosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[bis(3-bromanylsulfanyl-4-methyl-phenoxy)phosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate Openeye Name: 2-ethoxyethyl 2-[benzyloxycarbonyl-[bis(3-bromosulfanyl-4-methyl-phenoxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis[3-(bromothio)-4-methylphenoxy]phosphorylmethyl-phenylmethoxycarbonylamino]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[bis(3-bromosulfanyl-4-methylphenoxy)phosphorylmethyl-phenylmethoxycarbonylamino]acetate Traditional Name: 2-[bis[3-(bromothio)-4-methyl-phenoxy]phosphorylmethyl-carbobenzoxy-amino]acetic acid 2-ethoxyethyl ester Formula: C29H32Br2NO8PS2 MolecularWeight: 777.478041

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)CN(CP(=O)(OC1=CC(=C(C=C1)C)SBr)OC2=CC(=C(C=C2)C)SBr)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOCCOC(=O)CN(CP(=O)(OC1=CC(=C(C=C1)C)SBr)OC2=CC(=C(C=C2)C)SBr)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32Br2NO8PS2/c1-4-36-14-15-37-28(33)18-32(29(34)38-19-23-8-6-5-7-9-23)20-41(35,39-24-12-10-21(2)26(16-24)42-30)40-25-13-11-22(3)27(17-25)43-31/h5-13,16-17H,4,14-15,18-20H2,1-3H3