(1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-isopropoxy-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylthio)-3-propan-2-yloxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-[(butylthio)methyl]-2-isopropoxy-ethyl] ester Formula: C19H27NO3S3 MolecularWeight: 413.61758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC(C)C)OC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCSCC(COC(C)C)OC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H27NO3S3/c1-4-5-10-24-12-15(11-22-14(2)3)23-18(21)13-25-19-20-16-8-6-7-9-17(16)26-19/h6-9,14-15H,4-5,10-13H2,1-3H3