2-ethylhexyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate

Systemtic Name: 2-ethylhexyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: 2-ethylhexyl 3-[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxo-ethyl]amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxoethyl]amino]thio]-propan-2-ylamino]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxoethyl]amino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[[2-(2,2-dimethylcoumaran-7-yl)oxy-2-keto-ethyl]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)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O5S/c1-7-9-11-20(8-2)18-31-23(29)14-15-28(19(3)4)34-27-17-24(30)32-22-13-10-12-21-16-26(5,6)33-25(21)22/h10,12-13,19-20,27H,7-9,11,14-18H2,1-6H3