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

Systemtic Name: (1-butylsulfonyl-3-propan-2-yloxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-isopropoxy-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (1-butylsulfonyl-3-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-propan-2-yloxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylsulfonylmethyl)-2-isopropoxy-ethyl] ester Formula: C19H27NO5S3 MolecularWeight: 445.61638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H27NO5S3/c1-4-5-10-28(22,23)13-15(11-24-14(2)3)25-18(21)12-26-19-20-16-8-6-7-9-17(16)27-19/h6-9,14-15H,4-5,10-13H2,1-3H3