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

Systemtic Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(3-ethoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: ethyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(3-ethoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-(3-ethoxy-3-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(3-ethoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-(3-ethoxy-3-keto-propyl)amino]propionic acid ethyl ester Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCOC(=O)CCN(CCC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C22H32N2O7S/c1-6-28-18(25)11-13-24(14-12-19(26)29-7-2)32-23(5)21(27)30-17-10-8-9-16-15-22(3,4)31-20(16)17/h8-10H,6-7,11-15H2,1-5H3