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

Systemtic Name: diethyl 3-(1-adamantylcarbonyloxymethyl)-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-(adamantane-1-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[1-adamantyl(oxo)methoxy]methyl]-5-aminothiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(adamantane-1-carbonyloxymethyl)-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-(adamantane-1-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC)N

InChI

InChI=1S/C22H29NO6S/c1-3-27-19(24)16-15(17(30-18(16)23)20(25)28-4-2)11-29-21(26)22-8-12-5-13(9-22)7-14(6-12)10-22/h12-14H,3-11,23H2,1-2H3