1-[4-(furan-3-yl)-2,3-dimethyl-4-oxidanylidene-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(furan-3-yl)-2,3-dimethyl-4-oxidanylidene-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(3-furyl)-2,3-dimethyl-4-oxo-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(3-furanyl)-2-mercapto-2,3-dimethyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(furan-3-yl)-2,3-dimethyl-4-oxo-2-sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(3-furyl)-4-keto-2-mercapto-2,3-dimethyl-butanoyl]proline Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=COC=C1)C(C)(C(=O)N2CCCC2C(=O)O)S

Isomeric SMILES

CC(C(=O)C1=COC=C1)C(C)(C(=O)N2CCCC2C(=O)O)S

InChI

InChI=1S/C15H19NO5S/c1-9(12(17)10-5-7-21-8-10)15(2,22)14(20)16-6-3-4-11(16)13(18)19/h5,7-9,11,22H,3-4,6H2,1-2H3,(H,18,19)