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

Systemtic Name: ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-octyl-amino]ethanoate Openeye Name: ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-octyl-amino]acetate CAS Name: 2-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-octylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-octylamino]acetate Traditional Name: 2-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-octyl-amino]acetic acid ethyl ester Formula: C24H38N2O5S MolecularWeight: 466.63392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O5S/c1-6-8-9-10-11-12-16-26(18-21(27)29-7-2)32-25(5)23(28)30-20-15-13-14-19-17-24(3,4)31-22(19)20/h13-15H,6-12,16-18H2,1-5H3