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

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-[[butan-2-yl-(2-ethoxy-2-oxidanylidene-ethyl)amino]sulfanylamino]ethanoate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 2-[[(2-ethoxy-2-oxo-ethyl)-sec-butyl-amino]sulfanylamino]acetate CAS Name: 2-[[[butan-2-yl-(2-ethoxy-2-oxoethyl)amino]thio]amino]acetic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-[[butan-2-yl-(2-ethoxy-2-oxoethyl)amino]sulfanylamino]acetate Traditional Name: 2-[[[(2-ethoxy-2-keto-ethyl)-sec-butyl-amino]thio]amino]acetic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-6-14(3)22(13-18(24)25-7-2)28-21-12-17(23)26-16-10-8-9-15-11-20(4,5)27-19(15)16/h8-10,14,21H,6-7,11-13H2,1-5H3