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

Systemtic Name: [1-butylsulfanyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-[(4-chlorophenyl)methoxy]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylthio)-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-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-[(butylthio)methyl]-2-(4-chlorobenzyl)oxy-ethyl] ester Formula: C23H26ClNO3S3 MolecularWeight: 496.10544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3S3/c1-2-3-12-29-15-19(14-27-13-17-8-10-18(24)11-9-17)28-22(26)16-30-23-25-20-6-4-5-7-21(20)31-23/h4-11,19H,2-3,12-16H2,1H3