(4-nitrophenyl)methyl 2-diphenoxyphosphoryl-2-[(E)-(3-methoxy-2-oxidanylidene-propyl)sulfanylmethylideneamino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-diphenoxyphosphoryl-2-[(E)-(3-methoxy-2-oxidanylidene-propyl)sulfanylmethylideneamino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-diphenoxyphosphoryl-2-[(E)-(3-methoxy-2-oxo-propyl)sulfanylmethyleneamino]acetate CAS Name: 2-diphenoxyphosphoryl-2-[(E)-[(3-methoxy-2-oxopropyl)thio]methylideneamino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-diphenoxyphosphoryl-2-[(E)-(3-methoxy-2-oxopropyl)sulfanylmethylideneamino]acetate Traditional Name: 2-diphenoxyphosphoryl-2-[(E)-[(2-keto-3-methoxy-propyl)thio]methyleneamino]acetic acid (4-nitrobenzyl) ester Formula: C26H25N2O9PS MolecularWeight: 572.523461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)CSC=NC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COCC(=O)CS/C=N/C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H25N2O9PS/c1-34-17-22(29)18-39-19-27-25(26(30)35-16-20-12-14-21(15-13-20)28(31)32)38(33,36-23-8-4-2-5-9-23)37-24-10-6-3-7-11-24/h2-15,19,25H,16-18H2,1H3/b27-19+