[3-(1H-imidazol-5-yl)-3-methyl-1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl] 2-methanoylpiperazine-1-carboxylate

Systemtic Name: [3-(1H-imidazol-5-yl)-3-methyl-1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl] 2-methanoylpiperazine-1-carboxylate Openeye Name: [3-(1H-imidazol-5-yl)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl] 2-formylpiperazine-1-carboxylate CAS Name: 2-formyl-1-piperazinecarboxylic acid [3-(1H-imidazol-5-yl)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl] ester IUPAC Name: [3-(1H-imidazol-5-yl)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl] 2-formylpiperazine-1-carboxylate Traditional Name: 2-formylpiperazine-1-carboxylic acid [3-(1H-imidazol-5-yl)-1,1-diketo-3-methyl-1,4-thiazinan-4-yl] ester Formula: C14H21N5O5S MolecularWeight: 371.41204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)CCN1OC(=O)N2CCNCC2C=O)C3=CN=CN3

Isomeric SMILES

CC1(CS(=O)(=O)CCN1OC(=O)N2CCNCC2C=O)C3=CN=CN3

InChI

InChI=1S/C14H21N5O5S/c1-14(12-7-16-10-17-12)9-25(22,23)5-4-19(14)24-13(21)18-3-2-15-6-11(18)8-20/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)