(2S,4S)-1-(2-ethanoylsulfanylethanoyl)-4-(4-methoxyphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(2-ethanoylsulfanylethanoyl)-4-(4-methoxyphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-acetylsulfanylacetyl)-4-(4-methoxyphenoxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[2-(acetylthio)-1-oxoethyl]-4-(4-methoxyphenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(2-acetylsulfanylacetyl)-4-(4-methoxyphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[2-(acetylthio)acetyl]-4-(4-methoxyphenoxy)proline Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)SCC(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19NO6S/c1-10(18)24-9-15(19)17-8-13(7-14(17)16(20)21)23-12-5-3-11(22-2)4-6-12/h3-6,13-14H,7-9H2,1-2H3,(H,20,21)/t13-,14-/m0/s1