2-[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)-1-oxobutoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)butanoyl]oxy-3-phenyl-propionic acid Formula: C23H26O6S MolecularWeight: 430.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=C(C=C1)OC)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCC1=CC=C(C=C1)OC)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H26O6S/c1-16(24)30-15-19(11-8-17-9-12-20(28-2)13-10-17)23(27)29-21(22(25)26)14-18-6-4-3-5-7-18/h3-7,9-10,12-13,19,21H,8,11,14-15H2,1-2H3,(H,25,26)