[3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] but-3-enoate

Systemtic Name: [3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] but-3-enoate Openeye Name: [3-(5-methylsulfonylthiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] but-3-enoate CAS Name: 3-butenoic acid [3-(5-methylsulfonyl-2-thiazolyl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] but-3-enoate Traditional Name: but-3-enoic acid [3-(5-mesylthiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S2/c1-4-6-12(18)22-11-9-16(7-5-2)10-17(11,19)14-15-8-13(23-14)24(3,20)21/h2,4,8,11H,1,6-7,9-10H2,3H3