[3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate

Systemtic Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate Openeye Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] hex-5-enoate CAS Name: 5-hexenoic acid [3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-ynylimidazolidin-3-ium-4-yl] hex-5-enoate Traditional Name: hex-5-enoic acid [3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-yl] ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CCCC=C)CCCC#C)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)CCCC=C)CCCC#C)[O-]

InChI

InChI=1S/C23H29N3O4S/c1-4-7-9-11-22(27)30-21-16-25(14-10-8-5-2)17-26(21,28)23-24-19-15-18(29-6-3)12-13-20(19)31-23/h2,4,12-13,15,21H,1,6-11,14,16-17H2,3H3