[1-(6-chloranyl-1,3-benzothiazol-2-yl)-1-oxidanidyl-3-prop-2-enyl-imidazolidin-1-ium-2-yl] 2-chloranylethanoate

Systemtic Name: [1-(6-chloranyl-1,3-benzothiazol-2-yl)-1-oxidanidyl-3-prop-2-enyl-imidazolidin-1-ium-2-yl] 2-chloranylethanoate Openeye Name: [3-allyl-1-(6-chloro-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [1-(6-chloro-1,3-benzothiazol-2-yl)-1-oxido-3-prop-2-enyl-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(6-chloro-1,3-benzothiazol-2-yl)-1-oxido-3-prop-2-enylimidazolidin-1-ium-2-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [3-allyl-1-(6-chloro-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC[N+](C1OC(=O)CCl)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-]

Isomeric SMILES

C=CCN1CC[N+](C1OC(=O)CCl)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-]

InChI

InChI=1S/C15H15Cl2N3O3S/c1-2-5-19-6-7-20(22,15(19)23-13(21)9-16)14-18-11-4-3-10(17)8-12(11)24-14/h2-4,8,15H,1,5-7,9H2