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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H26N2O5S/c1-3-27-21(26)16-5-4-8-23(12-16)20(25)15-7-6-14(2)17(11-15)22-19(24)18-13-29-10-9-28-18/h6-7,11,13,16H,3-5,8-10,12H2,1-2H3,(H,22,24)