ethyl 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]butanoate

Systemtic Name: ethyl 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]butanoate Openeye Name: ethyl 4-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(2-ethoxy-2-oxo-ethyl)amino]butanoate CAS Name: 4-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-(2-ethoxy-2-oxoethyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-ethoxy-2-oxoethyl)amino]butanoate Traditional Name: 4-[[[(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:

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

Isomeric SMILES

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

InChI

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