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

Systemtic Name: 2-[[6-[2-(4-methylsulfonylphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(4-mesylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S3/c1-13(23)27-9-10-28-20-22-17-8-5-15(12-18(17)29-20)21-19(24)11-14-3-6-16(7-4-14)30(2,25)26/h3-8,12H,9-11H2,1-2H3,(H,21,24)