4-(4-acetyloxyphenyl)sulfanyl-1-(3-ethanoylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-acetyloxyphenyl)sulfanyl-1-(3-ethanoylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-acetoxyphenyl)sulfanyl-1-(3-acetylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-acetyloxyphenyl)thio]-1-[3-(acetylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-acetyloxyphenyl)sulfanyl-1-(3-acetylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-[(4-acetoxyphenyl)thio]-1-[3-(acetylthio)propanoyl]proline Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)SC2CC(N(C2)C(=O)CCSC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)SC2CC(N(C2)C(=O)CCSC(=O)C)C(=O)O

InChI

InChI=1S/C18H21NO6S2/c1-11(20)25-13-3-5-14(6-4-13)27-15-9-16(18(23)24)19(10-15)17(22)7-8-26-12(2)21/h3-6,15-16H,7-10H2,1-2H3,(H,23,24)