methyl 2-[1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoate Openeye Name: methyl 2-(1,3,3-trioxobenzo[e][1,2]benzothiazol-2-yl)acetate CAS Name: 2-(1,3,3-trioxo-2-benzo[e][1,2]benzothiazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(1,3,3-trioxobenzo[e][1,2]benzothiazol-2-yl)acetate Traditional Name: 2-(1,3,3-triketobenzo[e][1,2]benzothiazol-2-yl)acetic acid methyl ester Formula: C14H11NO5S MolecularWeight: 305.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(S1(=O)=O)C=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)CN1C(=O)C2=C(S1(=O)=O)C=CC3=CC=CC=C32

InChI

InChI=1S/C14H11NO5S/c1-20-12(16)8-15-14(17)13-10-5-3-2-4-9(10)6-7-11(13)21(15,18)19/h2-7H,8H2,1H3