ethyl 1-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

InChI

InChI=1S/C19H24N2O6S2/c1-3-26-18(23)13-7-9-21(10-8-13)17(22)12-28-19-20-15-11-14(29(24,25)4-2)5-6-16(15)27-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3