ethyl 2-[bis(3-nitrophenoxy)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(3-nitrophenoxy)phosphorylmethyl-(phenylmethylsulfanyl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(3-nitrophenoxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis(3-nitrophenoxy)phosphorylmethyl-[oxo-(phenylmethylthio)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzylsulfanylcarbonyl-[bis(3-nitrophenoxy)phosphorylmethyl]amino]acetate Traditional Name: 2-[(benzylthio)carbonyl-[bis(3-nitrophenoxy)phosphorylmethyl]amino]acetic acid ethyl ester Formula: C25H24N3O10PS MolecularWeight: 589.510921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)[N+](=O)[O-])OC2=CC=CC(=C2)[N+](=O)[O-])C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(CP(=O)(OC1=CC=CC(=C1)[N+](=O)[O-])OC2=CC=CC(=C2)[N+](=O)[O-])C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C25H24N3O10PS/c1-2-36-24(29)16-26(25(30)40-17-19-8-4-3-5-9-19)18-39(35,37-22-12-6-10-20(14-22)27(31)32)38-23-13-7-11-21(15-23)28(33)34/h3-15H,2,16-18H2,1H3