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

Systemtic Name: ethyl 4-[4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-3-methyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,1-dioxothiazinan-2-yl)-3-methyl-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1,1-dioxo-2-thiazinanyl)-3-methylphenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,1-diketothiazinan-2-yl)-3-methyl-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCS3(=O)=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCS3(=O)=O)C

InChI

InChI=1S/C19H27N3O5S/c1-3-27-19(24)21-11-9-20(10-12-21)18(23)16-6-7-17(15(2)14-16)22-8-4-5-13-28(22,25)26/h6-7,14H,3-5,8-13H2,1-2H3