dimethyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)N

InChI

InChI=1S/C22H28N2O7S/c1-29-19(26)16-14(17(20(27)30-2)32-18(16)23)10-31-15(25)9-24-21(28)22-6-11-3-12(7-22)5-13(4-11)8-22/h11-13H,3-10,23H2,1-2H3,(H,24,28)