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

Systemtic Name: ethyl 3-[[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]disulfanyl]-propan-2-yl-amino]propanoate Openeye Name: ethyl 3-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]disulfanyl]-isopropyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]disulfanyl]-propan-2-ylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]disulfanyl]-propan-2-ylamino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]disulfanyl]-isopropyl-amino]propionic acid ethyl ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C(C)C)SSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCOC(=O)CCN(C(C)C)SSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C20H30N2O5S2/c1-7-25-17(23)11-12-22(14(2)3)29-28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3