4-[3-(ethanoylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butan-2-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-(ethanoylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butan-2-yl]piperidine-1-carboxylic acid Openeye Name: 4-[2-(acetylsulfanylmethyl)-3-ethoxy-1-methyl-3-oxo-propyl]piperidine-1-carboxylic acid CAS Name: 4-[3-[(acetylthio)methyl]-4-ethoxy-4-oxobutan-2-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(acetylsulfanylmethyl)-4-ethoxy-4-oxobutan-2-yl]piperidine-1-carboxylic acid Traditional Name: 4-[2-[(acetylthio)methyl]-3-ethoxy-3-keto-1-methyl-propyl]piperidine-1-carboxylic acid Formula: C15H25NO5S MolecularWeight: 331.4277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C)C(C)C1CCN(CC1)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSC(=O)C)C(C)C1CCN(CC1)C(=O)O

InChI

InChI=1S/C15H25NO5S/c1-4-21-14(18)13(9-22-11(3)17)10(2)12-5-7-16(8-6-12)15(19)20/h10,12-13H,4-9H2,1-3H3,(H,19,20)