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

Systemtic Name: (1-butylsulfonyl-3-phenylmethoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfonyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (1-butylsulfonyl-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenylmethoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(benzoxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C23H27NO5S3 MolecularWeight: 493.65918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27NO5S3/c1-2-3-13-32(26,27)17-19(15-28-14-18-9-5-4-6-10-18)29-22(25)16-30-23-24-20-11-7-8-12-21(20)31-23/h4-12,19H,2-3,13-17H2,1H3