3-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanylethylcarbamoyl]-2,4-dimethyl-pentanedioic acid

Systemtic Name: 3-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanylethylcarbamoyl]-2,4-dimethyl-pentanedioic acid Openeye Name: 3-[2-(3-ethoxy-3-oxo-propyl)sulfanylethylcarbamoyl]-2,4-dimethyl-pentanedioic acid CAS Name: 3-[[2-[(3-ethoxy-3-oxopropyl)thio]ethylamino]-oxomethyl]-2,4-dimethylpentanedioic acid IUPAC Name: 3-[2-(3-ethoxy-3-oxopropyl)sulfanylethylcarbamoyl]-2,4-dimethylpentanedioic acid Traditional Name: 3-[2-[(3-ethoxy-3-keto-propyl)thio]ethylcarbamoyl]-2,4-dimethyl-glutaric acid Formula: C15H25NO7S MolecularWeight: 363.4265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCCNC(=O)C(C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)CCSCCNC(=O)C(C(C)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C15H25NO7S/c1-4-23-11(17)5-7-24-8-6-16-13(18)12(9(2)14(19)20)10(3)15(21)22/h9-10,12H,4-8H2,1-3H3,(H,16,18)(H,19,20)(H,21,22)