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

Systemtic Name: ethyl 2-[bis(butylamino)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(butylamino)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(butylamino)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(butylamino)phosphorylmethyl]amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-[bis(butylamino)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C21H36N3O4PS MolecularWeight: 457.567001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNP(=O)(CN(CC(=O)OCC)C(=O)SCC1=CC=CC=C1)NCCCC

Isomeric SMILES

CCCCNP(=O)(CN(CC(=O)OCC)C(=O)SCC1=CC=CC=C1)NCCCC

InChI

InChI=1S/C21H36N3O4PS/c1-4-7-14-22-29(27,23-15-8-5-2)18-24(16-20(25)28-6-3)21(26)30-17-19-12-10-9-11-13-19/h9-13H,4-8,14-18H2,1-3H3,(H2,22,23,27)