[1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-[(4-chlorophenyl)methoxy]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylsulfinylmethyl)-2-(4-chlorobenzyl)oxy-ethyl] ester Formula: C23H26ClNO4S3 MolecularWeight: 512.10484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO4S3/c1-2-3-12-32(27)16-19(14-28-13-17-8-10-18(24)11-9-17)29-22(26)15-30-23-25-20-6-4-5-7-21(20)31-23/h4-11,19H,2-3,12-16H2,1H3