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

Systemtic Name: 2-ethylhexyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: 2-ethylhexyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-propan-2-ylamino]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-isopropyl-amino]propionic acid 2-ethylhexyl ester Formula: C26H42N2O5S MolecularWeight: 494.68708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O5S/c1-8-10-12-20(9-2)18-31-23(29)15-16-28(19(3)4)34-27(7)25(30)32-22-14-11-13-21-17-26(5,6)33-24(21)22/h11,13-14,19-20H,8-10,12,15-18H2,1-7H3