3-[bis(4-chlorophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[bis(4-chlorophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[bis(4-chlorophenyl)methylsulfanyl]propanoic acid CAS Name: 3-[bis(4-chlorophenyl)methylthio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[bis(4-chlorophenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(4-chlorophenyl)methylthio]propionic acid Formula: C24H21Cl2NO4S MolecularWeight: 490.39884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C24H21Cl2NO4S/c25-19-10-6-17(7-11-19)22(18-8-12-20(26)13-9-18)32-15-21(23(28)29)27-24(30)31-14-16-4-2-1-3-5-16/h1-13,21-22H,14-15H2,(H,27,30)(H,28,29)