2-chloroethyl 2-[bis-(phenylmethylsulfanyl)oxyphosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate

Systemtic Name: 2-chloroethyl 2-[bis-(phenylmethylsulfanyl)oxyphosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate Openeye Name: 2-chloroethyl 2-[benzyloxycarbonyl-[bis(benzylsulfanyloxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis-(phenylmethylthio)oxyphosphorylmethyl-phenylmethoxycarbonylamino]acetic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2-[bis(benzylsulfanyloxy)phosphorylmethyl-phenylmethoxycarbonylamino]acetate Traditional Name: 2-[bis-(benzylthio)oxyphosphorylmethyl-carbobenzoxy-amino]acetic acid 2-chloroethyl ester Formula: C27H29ClNO7PS2 MolecularWeight: 610.078421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC(=O)OCCCl)CP(=O)(OSCC2=CC=CC=C2)OSCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC(=O)OCCCl)CP(=O)(OSCC2=CC=CC=C2)OSCC3=CC=CC=C3

InChI

InChI=1S/C27H29ClNO7PS2/c28-16-17-33-26(30)18-29(27(31)34-19-23-10-4-1-5-11-23)22-37(32,35-38-20-24-12-6-2-7-13-24)36-39-21-25-14-8-3-9-15-25/h1-15H,16-22H2