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

Systemtic Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(2-methylpropyl)amino]propanoate Openeye Name: ethyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-isobutyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-(2-methylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-isobutyl-amino]propionic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-7-26-18(24)11-12-23(14-15(2)3)29-22(6)20(25)27-17-10-8-9-16-13-21(4,5)28-19(16)17/h8-10,15H,7,11-14H2,1-6H3