ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1,3-benzoxazol-2-ylthio)propanoyl]isonipecotic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H22N2O4S/c1-3-23-17(22)13-8-10-20(11-9-13)16(21)12(2)25-18-19-14-6-4-5-7-15(14)24-18/h4-7,12-13H,3,8-11H2,1-2H3