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

Systemtic Name: (1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfanyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(butylthio)-3-prop-2-enoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-prop-2-enoxypropan-2-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(allyloxymethyl)-2-(butylthio)ethyl] ester Formula: C19H25NO3S3 MolecularWeight: 411.6017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3S3/c1-3-5-11-24-13-15(12-22-10-4-2)23-18(21)14-25-19-20-16-8-6-7-9-17(16)26-19/h4,6-9,15H,2-3,5,10-14H2,1H3