2-[(2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanethioyl)pyrrolidin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanethioyl)pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-1-(3,3-dimethyl-2-oxo-pentanethioyl)pyrrolidin-2-yl]acetic acid CAS Name: 2-[(2S)-1-(3,3-dimethyl-2-oxo-1-sulfanylidenepentyl)-2-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S)-1-(3,3-dimethyl-2-oxopentanethioyl)pyrrolidin-2-yl]acetic acid Traditional Name: 2-[(2S)-1-(2-keto-3,3-dimethyl-pentanethioyl)pyrrolidin-2-yl]acetic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=S)N1CCCC1CC(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)C(=S)N1CCC[C@H]1CC(=O)O

InChI

InChI=1S/C13H21NO3S/c1-4-13(2,3)11(17)12(18)14-7-5-6-9(14)8-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m0/s1