ethyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-hexyl-amino]propanoate

Systemtic Name: ethyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-hexyl-amino]propanoate Openeye Name: ethyl 3-[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxo-ethyl]amino]sulfanyl-hexyl-amino]propanoate CAS Name: 3-[[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxoethyl]amino]thio]-hexylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxoethyl]amino]sulfanyl-hexylamino]propanoate Traditional Name: 3-[[[[2-(2,2-dimethylcoumaran-7-yl)oxy-2-keto-ethyl]amino]thio]-hexyl-amino]propionic acid ethyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5S/c1-5-7-8-9-14-25(15-13-20(26)28-6-2)31-24-17-21(27)29-19-12-10-11-18-16-23(3,4)30-22(18)19/h10-12,24H,5-9,13-17H2,1-4H3