(4-nitrophenyl) 3-(diphenylmethyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl) 3-(diphenylmethyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[(diphenylmethyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzhydrylthio)-2-(benzyloxycarbonylamino)propionic acid (4-nitrophenyl) ester Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H26N2O6S/c33-29(38-26-18-16-25(17-19-26)32(35)36)27(31-30(34)37-20-22-10-4-1-5-11-22)21-39-28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,27-28H,20-21H2,(H,31,34)