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

Systemtic Name: 2-[[6-[2-(2-phenylethenylsulfonyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2-styrylsulfonylacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[1-oxo-2-(2-phenylethenylsulfonyl)ethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(2-phenylethenylsulfonyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2-styrylsulfonylacetyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S3/c1-15(24)28-10-11-29-21-23-18-8-7-17(13-19(18)30-21)22-20(25)14-31(26,27)12-9-16-5-3-2-4-6-16/h2-9,12-13H,10-11,14H2,1H3,(H,22,25)