[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] ester IUPAC Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [(2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] ester Formula: C31H27N5O7S MolecularWeight: 613.64038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)OC/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H27N5O7S/c37-30(24-14-8-3-9-15-24)32-28(21-44-20-22-10-4-1-5-11-22)31(38)43-19-27(23-12-6-2-7-13-23)34-33-26-17-16-25(35(39)40)18-29(26)36(41)42/h1-18,28,33H,19-21H2,(H,32,37)/b34-27-