[3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-prop-2-enylbenzoate

Systemtic Name: [3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-prop-2-enylbenzoate Openeye Name: [3-(5-ethylsulfonylthiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-allylbenzoate CAS Name: 3-prop-2-enylbenzoic acid [3-(5-ethylsulfonyl-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-prop-2-enylbenzoate Traditional Name: 3-allylbenzoic acid [3-(5-esylthiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)CC=C)C)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)CC=C)C)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-4-7-14-8-6-9-15(10-14)18(23)27-16-12-21(3)13-22(16,24)19-20-11-17(28-19)29(25,26)5-2/h4,6,8-11,16H,1,5,7,12-13H2,2-3H3