2-[[6-[2-(4-acetyloxyphenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[2-(4-acetyloxyphenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(4-acetoxyphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[2-(4-acetyloxyphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(4-acetyloxyphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(4-acetoxyphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C21H20N2O6S2/c1-13(24)27-9-10-30-21-23-18-8-3-15(11-19(18)31-21)22-20(26)12-28-16-4-6-17(7-5-16)29-14(2)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)