[1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-butylsulfanyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-(4-chlorophenoxy)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(butylthio)-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-3-(4-chlorophenoxy)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-[(butylthio)methyl]-2-(4-chlorophenoxy)ethyl] ester Formula: C22H24ClNO4S2 MolecularWeight: 466.01326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCSCC(COC1=CC=C(C=C1)Cl)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24ClNO4S2/c1-2-3-12-29-14-18(13-26-17-10-8-16(23)9-11-17)27-21(25)15-30-22-24-19-6-4-5-7-20(19)28-22/h4-11,18H,2-3,12-15H2,1H3