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

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-thiophen-2-yl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-2-methyl-4-oxo-4-(2-thienyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1,4-dioxo-4-thiophen-2-ylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methyl-4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-2-methyl-4-(2-thienyl)butanoyl]proline Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CS1)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=CS1)SC(=O)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H19NO5S2/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)