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

Systemtic Name: (1-butylsulfonyl-3-methoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-methoxy-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (1-butylsulfonyl-3-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-methoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylsulfonylmethyl)-2-methoxy-ethyl] ester Formula: C17H23NO5S3 MolecularWeight: 417.56322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S3/c1-3-4-9-26(20,21)12-13(10-22-2)23-16(19)11-24-17-18-14-7-5-6-8-15(14)25-17/h5-8,13H,3-4,9-12H2,1-2H3