2-[[6-[3-(phenylsulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[3-(phenylsulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-(3-besylpropanoylamino)-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)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S3/c1-14(23)27-10-11-28-20-22-17-8-7-15(13-18(17)29-20)21-19(24)9-12-30(25,26)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,24)