(2S,4S)-4-(4-chlorophenyl)carbonyloxy-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(4-chlorophenyl)carbonyloxy-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(4-chlorobenzoyl)oxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-[(4-chlorophenyl)-oxomethoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(4-chlorobenzoyl)oxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(4-chlorobenzoyl)oxy-proline Formula: C18H20ClNO6S MolecularWeight: 413.8725

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO6S/c1-10(9-27-11(2)21)16(22)20-8-14(7-15(20)17(23)24)26-18(25)12-3-5-13(19)6-4-12/h3-6,10,14-15H,7-9H2,1-2H3,(H,23,24)/t10?,14-,15-/m0/s1