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

Systemtic Name: methyl 3-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-6-7-12-22(13-11-17(23)25-5)28-21(4)19(24)26-16-10-8-9-15-14-20(2,3)27-18(15)16/h8-10H,6-7,11-14H2,1-5H3