dimethyl 3-(1-adamantylcarbonyloxymethyl)-5-azanyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-(1-adamantylcarbonyloxymethyl)-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-(adamantane-1-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[1-adamantyl(oxo)methoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(adamantane-1-carbonyloxymethyl)-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-(adamantane-1-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-25-17(22)14-13(15(18(23)26-2)28-16(14)21)9-27-19(24)20-6-10-3-11(7-20)5-12(4-10)8-20/h10-12H,3-9,21H2,1-2H3