ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-tosyl-amino]acetic acid ethyl ester Formula: C23H28N2O7S2 MolecularWeight: 508.60762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O7S2/c1-6-30-20(26)15-25(34(28,29)18-12-10-16(2)11-13-18)33-24(5)22(27)31-19-9-7-8-17-14-23(3,4)32-21(17)19/h7-13H,6,14-15H2,1-5H3