ethyl 2-[bis(4-methoxyphenoxy)phosphorylmethyl-(2,4-dinitrophenyl)sulfanyl-amino]ethanoate

Systemtic Name: ethyl 2-[bis(4-methoxyphenoxy)phosphorylmethyl-(2,4-dinitrophenyl)sulfanyl-amino]ethanoate Openeye Name: ethyl 2-[bis(4-methoxyphenoxy)phosphorylmethyl-(2,4-dinitrophenyl)sulfanyl-amino]acetate CAS Name: 2-[bis(4-methoxyphenoxy)phosphorylmethyl-[(2,4-dinitrophenyl)thio]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[bis(4-methoxyphenoxy)phosphorylmethyl-(2,4-dinitrophenyl)sulfanylamino]acetate Traditional Name: 2-[bis(4-methoxyphenoxy)phosphorylmethyl-[(2,4-dinitrophenyl)thio]amino]acetic acid ethyl ester Formula: C25H26N3O11PS MolecularWeight: 607.526201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CP(=O)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(CP(=O)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H26N3O11PS/c1-4-37-25(29)16-26(41-24-14-5-18(27(30)31)15-23(24)28(32)33)17-40(34,38-21-10-6-19(35-2)7-11-21)39-22-12-8-20(36-3)9-13-22/h5-15H,4,16-17H2,1-3H3