ethyl 1-[4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-3-methyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-3-methyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,1-dioxothiazinan-2-yl)-3-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(1,1-dioxo-2-thiazinanyl)-3-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(1,1-diketothiazinan-2-yl)-3-methyl-benzoyl]isonipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCS3(=O)=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCS3(=O)=O)C

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(24)16-8-11-21(12-9-16)19(23)17-6-7-18(15(2)14-17)22-10-4-5-13-28(22,25)26/h6-7,14,16H,3-5,8-13H2,1-2H3