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

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-2-methyl-4-(2-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-4-(2-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methyl-4-naphthalen-2-yl-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-2-methyl-4-(2-naphthyl)butanoyl]proline Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC2=CC=CC=C2C=C1)SC(=O)C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC2=CC=CC=C2C=C1)SC(=O)C)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C22H23NO5S/c1-13(21(26)23-11-5-8-18(23)22(27)28)20(29-14(2)24)19(25)17-10-9-15-6-3-4-7-16(15)12-17/h3-4,6-7,9-10,12-13,18,20H,5,8,11H2,1-2H3,(H,27,28)