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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-6-8-13-23(14-12-18(24)26-7-2)29-22(5)20(25)27-17-11-9-10-16-15-21(3,4)28-19(16)17/h9-11H,6-8,12-15H2,1-5H3