[3-(1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-3-ynyl-imidazolidin-3-ium-4-yl] furan-2-carboxylate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-3-ynyl-imidazolidin-3-ium-4-yl] furan-2-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-3-oxido-1-pent-3-ynyl-imidazolidin-3-ium-4-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-(1,3-benzothiazol-2-yl)-3-oxido-1-pent-3-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-3-oxido-1-pent-3-ynylimidazolidin-3-ium-4-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(1,3-benzothiazol-2-yl)-3-oxido-1-pent-3-ynyl-imidazolidin-3-ium-4-yl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC=CO4

Isomeric SMILES

CC#CCCN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC=CO4

InChI

InChI=1S/C20H19N3O4S/c1-2-3-6-11-22-13-18(27-19(24)16-9-7-12-26-16)23(25,14-22)20-21-15-8-4-5-10-17(15)28-20/h4-5,7-10,12,18H,6,11,13-14H2,1H3