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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-13(2)21(11-10-16(22)24-6)27-20(5)18(23)25-15-9-7-8-14-12-19(3,4)26-17(14)15/h7-9,13H,10-12H2,1-6H3