3-phenyl-2-(phenylmethoxycarbonylsulfanylmethyl)propanoic acid

Systemtic Name: 3-phenyl-2-(phenylmethoxycarbonylsulfanylmethyl)propanoic acid Openeye Name: 2-benzyl-3-benzyloxycarbonylsulfanyl-propanoic acid CAS Name: 3-phenyl-2-[(phenylmethoxycarbonylthio)methyl]propanoic acid IUPAC Name: 2-benzyl-3-phenylmethoxycarbonylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(carbobenzoxythio)propionic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O4S/c19-17(20)16(11-14-7-3-1-4-8-14)13-23-18(21)22-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)