(1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfonyl-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (1-butylsulfonyl-3-prop-2-enoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-prop-2-enoxypropan-2-yl) 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(allyloxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COCC=C)OC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCS(=O)(=O)CC(COCC=C)OC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C19H25NO6S2/c1-3-5-11-28(22,23)14-15(12-24-10-4-2)25-18(21)13-27-19-20-16-8-6-7-9-17(16)26-19/h4,6-9,15H,2-3,5,10-14H2,1H3