ethyl 2-[dipyrrolidin-1-ylphosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[dipyrrolidin-1-ylphosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl(dipyrrolidin-1-ylphosphorylmethyl)amino]acetate CAS Name: 2-[bis(1-pyrrolidinyl)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl(dipyrrolidin-1-ylphosphorylmethyl)amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-(dipyrrolidinophosphorylmethyl)amino]acetic acid ethyl ester Formula: C21H32N3O4PS MolecularWeight: 453.535241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(N1CCCC1)N2CCCC2)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(CP(=O)(N1CCCC1)N2CCCC2)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H32N3O4PS/c1-2-28-20(25)16-22(21(26)30-17-19-10-4-3-5-11-19)18-29(27,23-12-6-7-13-23)24-14-8-9-15-24/h3-5,10-11H,2,6-9,12-18H2,1H3