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

Systemtic Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-amino]propanoate Openeye Name: ethyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonylamino]propanoate Traditional Name: 3-[carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]amino]propionic acid ethyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7S/c1-6-26-16(23)11-12-22(19(25)27-7-2)30-21(5)18(24)28-15-10-8-9-14-13-20(3,4)29-17(14)15/h8-10H,6-7,11-13H2,1-5H3