1-[4-(2,3-dihydro-1H-inden-5-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-4-indan-5-yl-4-oxo-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(2,3-dihydro-1H-inden-5-yl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-indan-5-yl-4-keto-butanoyl]proline Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H23NO5S/c1-12(22)27-17(11-18(23)21-9-3-6-16(21)20(25)26)19(24)15-8-7-13-4-2-5-14(13)10-15/h7-8,10,16-17H,2-6,9,11H2,1H3,(H,25,26)