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

Systemtic Name: ethyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-6-25-17(23)10-11-22(14(2)3)28-21-13-18(24)26-16-9-7-8-15-12-20(4,5)27-19(15)16/h7-9,14,21H,6,10-13H2,1-5H3