1-[3-ethanoylsulfanyl-4-(furan-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(furan-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(2-furyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(2-furanyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(furan-2-yl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(2-furyl)-4-keto-2-methyl-butanoyl]proline Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CO1)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=CO1)SC(=O)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H19NO6S/c1-9(15(20)17-7-3-5-11(17)16(21)22)14(24-10(2)18)13(19)12-6-4-8-23-12/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,21,22)