1-(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(2-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(2-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-4-naphthalen-2-yl-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(2-naphthyl)butanoyl]proline Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21NO5S/c1-13(23)28-18(12-19(24)22-10-4-7-17(22)21(26)27)20(25)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,17-18H,4,7,10,12H2,1H3,(H,26,27)