S-(4-nitrophenyl) 3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanethioate

Systemtic Name: S-(4-nitrophenyl) 3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanethioate Openeye Name: S-(4-nitrophenyl) 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanethioate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-phenylpropanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanethioate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanethioic acid S-(4-nitrophenyl) ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O6S/c29-23(16-26-25(31)34-17-19-9-5-2-6-10-19)27-22(15-18-7-3-1-4-8-18)24(30)35-21-13-11-20(12-14-21)28(32)33/h1-14,22H,15-17H2,(H,26,31)(H,27,29)