3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-(2-acetamidophenyl)sulfanyl-2-acetoxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-acetamidophenyl)thio]-2-acetyloxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-acetamidophenyl)thio]-2-acetoxy-3-(4-methoxyphenyl)propionic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SC(C2=CC=C(C=C2)OC)C(C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SC(C2=CC=C(C=C2)OC)C(C(=O)O)OC(=O)C

InChI

InChI=1S/C20H21NO6S/c1-12(22)21-16-6-4-5-7-17(16)28-19(18(20(24)25)27-13(2)23)14-8-10-15(26-3)11-9-14/h4-11,18-19H,1-3H3,(H,21,22)(H,24,25)