[3-(6-chloranyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(furan-2-yl)ethanoate

Systemtic Name: [3-(6-chloranyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(furan-2-yl)ethanoate Openeye Name: [1-allyl-3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(2-furyl)acetate CAS Name: 2-(2-furanyl)acetic acid [3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] 2-(furan-2-yl)acetate Traditional Name: 2-(2-furyl)acetic acid [1-allyl-3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-])OC(=O)CC4=CC=CO4

Isomeric SMILES

C=CCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-])OC(=O)CC4=CC=CO4

InChI

InChI=1S/C19H18ClN3O4S/c1-2-7-22-11-17(27-18(24)10-14-4-3-8-26-14)23(25,12-22)19-21-15-6-5-13(20)9-16(15)28-19/h2-6,8-9,17H,1,7,10-12H2