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

Systemtic Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-hexyl-amino]propanoate Openeye Name: ethyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-hexyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-hexylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-hexylamino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-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)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5S/c1-6-8-9-10-15-25(16-14-20(26)28-7-2)31-24(5)22(27)29-19-13-11-12-18-17-23(3,4)30-21(18)19/h11-13H,6-10,14-17H2,1-5H3