methyl (2R,3R)-3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2R,3R)-3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2R,3R)-3-(2-acetamidophenyl)sulfanyl-2-acetoxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[(2-acetamidophenyl)thio]-2-acetyloxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-acetamidophenyl)sulfanyl-2-acetyloxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[(2-acetamidophenyl)thio]-2-acetoxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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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)OC)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC=C1S[C@H](C2=CC=C(C=C2)OC)[C@@H](C(=O)OC)OC(=O)C

InChI

InChI=1S/C21H23NO6S/c1-13(23)22-17-7-5-6-8-18(17)29-20(15-9-11-16(26-3)12-10-15)19(21(25)27-4)28-14(2)24/h5-12,19-20H,1-4H3,(H,22,23)/t19-,20+/m0/s1