[3-dimethoxyphosphoryl-3-(phenylmethoxycarbonylamino)-1-phenylsulfanyl-propyl] ethanoate

Systemtic Name: [3-dimethoxyphosphoryl-3-(phenylmethoxycarbonylamino)-1-phenylsulfanyl-propyl] ethanoate Openeye Name: [3-(benzyloxycarbonylamino)-3-dimethoxyphosphoryl-1-phenylsulfanyl-propyl] acetate CAS Name: acetic acid [3-dimethoxyphosphoryl-3-(phenylmethoxycarbonylamino)-1-(phenylthio)propyl] ester IUPAC Name: [3-dimethoxyphosphoryl-3-(phenylmethoxycarbonylamino)-1-phenylsulfanylpropyl] acetate Traditional Name: acetic acid [3-(benzyloxycarbonylamino)-3-dimethoxyphosphoryl-1-(phenylthio)propyl] ester Formula: C21H26NO7PS MolecularWeight: 467.472401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CC(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC)SC2=CC=CC=C2

InChI

InChI=1S/C21H26NO7PS/c1-16(23)29-20(31-18-12-8-5-9-13-18)14-19(30(25,26-2)27-3)22-21(24)28-15-17-10-6-4-7-11-17/h4-13,19-20H,14-15H2,1-3H3,(H,22,24)