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

Systemtic Name: (1-butylsulfinyl-3-phenylmethoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfinyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(benzoxymethyl)-2-butylsulfinyl-ethyl] ester Formula: C23H27NO4S3 MolecularWeight: 477.65978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S3/c1-2-3-13-31(26)17-19(15-27-14-18-9-5-4-6-10-18)28-22(25)16-29-23-24-20-11-7-8-12-21(20)30-23/h4-12,19H,2-3,13-17H2,1H3