[1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-butylsulfonyl-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-(4-chlorophenoxy)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)ethyl] ester Formula: C22H24ClNO5S3 MolecularWeight: 514.07766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S3/c1-2-3-12-32(26,27)15-18(13-28-17-10-8-16(23)9-11-17)29-21(25)14-30-22-24-19-6-4-5-7-20(19)31-22/h4-11,18H,2-3,12-15H2,1H3