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

Systemtic Name: dimethyl 3-(2-adamantylcarbonyloxymethyl)-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-(adamantane-2-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[2-adamantyl(oxo)methoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(adamantane-2-carbonyloxymethyl)-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-(adamantane-2-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)C2C3CC4CC(C3)CC2C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2C3CC4CC(C3)CC2C4)C(=O)OC)N

InChI

InChI=1S/C20H25NO6S/c1-25-18(22)15-13(16(20(24)26-2)28-17(15)21)8-27-19(23)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,3-8,21H2,1-2H3