(2,2-dimethyl-3H-1-benzofuran-7-yl) 2-[[(2-ethoxy-2-oxidanylidene-ethyl)-octyl-amino]sulfanylamino]ethanoate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-[[(2-ethoxy-2-oxidanylidene-ethyl)-octyl-amino]sulfanylamino]ethanoate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 2-[[(2-ethoxy-2-oxo-ethyl)-octyl-amino]sulfanylamino]acetate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)-octylamino]thio]amino]acetic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-[[(2-ethoxy-2-oxoethyl)-octylamino]sulfanylamino]acetate Traditional Name: 2-[[[(2-ethoxy-2-keto-ethyl)-octyl-amino]thio]amino]acetic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C24H38N2O5S MolecularWeight: 466.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC(=O)OCC)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCCCCCCCN(CC(=O)OCC)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C24H38N2O5S/c1-5-7-8-9-10-11-15-26(18-22(28)29-6-2)32-25-17-21(27)30-20-14-12-13-19-16-24(3,4)31-23(19)20/h12-14,25H,5-11,15-18H2,1-4H3