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

Systemtic Name: dimethyl 3-[2-(1-adamantyl)ethanoyloxymethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[2-(1-adamantyl)-1-oxoethoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC)N

InChI

InChI=1S/C21H27NO6S/c1-26-19(24)16-14(17(20(25)27-2)29-18(16)22)10-28-15(23)9-21-6-11-3-12(7-21)5-13(4-11)8-21/h11-13H,3-10,22H2,1-2H3