2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)ethanoate

Systemtic Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)ethanoate Openeye Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate CAS Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate IUPAC Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate Traditional Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate Formula: C15H14NO2S- MolecularWeight: 272.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=CC=CC=C31)N=C(S2)CC(=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C3=CC=CC=C31)N=C(S2)CC(=O)[O-])C

InChI

InChI=1S/C15H15NO2S/c1-15(2)8-11-14(9-5-3-4-6-10(9)15)16-12(19-11)7-13(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)/p-1