(phenylmethyl) 4-[2-(3-ethoxy-2-oxidanyl-3-oxidanylidene-propyl)sulfanylethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(3-ethoxy-2-oxidanyl-3-oxidanylidene-propyl)sulfanylethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(3-ethoxy-2-hydroxy-3-oxo-propyl)sulfanylethyl]piperidine-1-carboxylate CAS Name: 4-[2-[(3-ethoxy-2-hydroxy-3-oxopropyl)thio]ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(3-ethoxy-2-hydroxy-3-oxopropyl)sulfanylethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(3-ethoxy-2-hydroxy-3-keto-propyl)thio]ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C(CSCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO5S/c1-2-25-19(23)18(22)15-27-13-10-16-8-11-21(12-9-16)20(24)26-14-17-6-4-3-5-7-17/h3-7,16,18,22H,2,8-15H2,1H3