(1-butylsulfonyl-3-phenoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (1-butylsulfonyl-3-phenoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (1-butylsulfonyl-3-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylsulfonylmethyl)-2-phenoxy-ethyl] ester Formula: C22H25NO5S3 MolecularWeight: 479.6326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25NO5S3/c1-2-3-13-31(25,26)16-18(14-27-17-9-5-4-6-10-17)28-21(24)15-29-22-23-19-11-7-8-12-20(19)30-22/h4-12,18H,2-3,13-16H2,1H3