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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-but-3-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] furan-2-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-but-3-ynyl-3-oxido-imidazolidin-3-ium-4-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-(1,3-benzothiazol-2-yl)-1-but-3-ynyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-but-3-ynyl-3-oxidoimidazolidin-3-ium-4-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(1,3-benzothiazol-2-yl)-1-but-3-ynyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-2-3-10-21-12-17(26-18(23)15-8-6-11-25-15)22(24,13-21)19-20-14-7-4-5-9-16(14)27-19/h1,4-9,11,17H,3,10,12-13H2