(2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) ethanoate hydroiodide

Systemtic Name: (2-azanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) ethanoate hydroiodide Openeye Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) acetate hydroiodide CAS Name: acetic acid (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) ester hydroiodide IUPAC Name: (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) acetate hydroiodide Traditional Name: acetic acid (2-amino-4,5-dihydrobenzo[e][1,3]benzothiazol-7-yl) ester hydroiodide Formula: C13H13IN2O2S MolecularWeight: 388.22399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)N.I

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)N.I

InChI

InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H