2-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]oxy-3-phenyl-propionic acid Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H22O5S/c1-15(22)27-14-18(12-16-8-4-2-5-9-16)21(25)26-19(20(23)24)13-17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3,(H,23,24)