ethyl 1-[3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[2,3-dihydro-1,4-oxathiin-6-yl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(2,3-dihydro-1,4-oxathiin-6-carbonylamino)-4-methyl-benzoyl]isonipecotic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H26N2O5S/c1-3-27-21(26)15-6-8-23(9-7-15)20(25)16-5-4-14(2)17(12-16)22-19(24)18-13-29-11-10-28-18/h4-5,12-13,15H,3,6-11H2,1-2H3,(H,22,24)