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

Systemtic Name: methyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)OC)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CC(C)N(CCC(=O)OC)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C19H28N2O5S/c1-13(2)21(10-9-16(22)24-5)27-20-12-17(23)25-15-8-6-7-14-11-19(3,4)26-18(14)15/h6-8,13,20H,9-12H2,1-5H3