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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7S/c1-7-16(20(26)29-9-3)24(14-18(25)28-8-2)32-23(6)21(27)30-17-12-10-11-15-13-22(4,5)31-19(15)17/h10-12,16H,7-9,13-14H2,1-6H3