(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanyl-propanoate Openeye Name: (4-nitrophenyl) 2-(benzyloxycarbonylamino)-3-benzyloxycarbonylsulfanyl-propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-(phenylmethoxycarbonylthio)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(carbobenzoxythio)propionic acid (4-nitrophenyl) ester Formula: C25H22N2O8S MolecularWeight: 510.51578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O8S/c28-23(35-21-13-11-20(12-14-21)27(31)32)22(26-24(29)33-15-18-7-3-1-4-8-18)17-36-25(30)34-16-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,26,29)